Chiral Catalysts &amp; Ligands

Ligand for highly selective asymmetric transfer hydrogenation of prochiral ketones.

Quality Level	100,
assay	97%
optical activity	[]22/D -1.0°, c = 1 in chloroform
mp	71-80 °C
SMILES string	C[C@H](O)CNC(=O)[C@H](C)NC(=O)OC(C)(C)C
InChI	1S/C11H22N2O4/c1-7(14)6-12-9(15)8(2)13-10(16)17-11(3,4)5/h7-8,14H,6H2,1-5H3,(H,12,15)(H,13,16)/t7-,8-/m0/s1
InChI key	QBYGMGDPOWAXSC-YUMQZZPRSA-N

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Boc-Pyr-OMe 757497-1G

Empirical Formula (Hill Notation):	C₁₁H₁₇NO₅
CAS Number:	108963-96-8
Molecular Weight:	243.26
MDL number:	MFCD06809720
PubChem Substance ID:	329766679
NACRES:	NA.22

Quality Level	100,
assay	97%
optical activity	[α]22/D −32.0°, c = 0.5 in chloroform, [α]22/D -32°, c = 0.5% in chloroform
mp	68-72 °C, 69-74 °C
storage temp.	2-8°C
SMILES string	COC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChI	1S/C11H17NO5/c1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13/h7H,5-6H2,1-4H3/t7-/m0/s1
Inchi Key	FNTAOUUEQHKLIU-ZETCQYMHSA-N

Brucine is the major active pharmacological component of Strychnos nux-vomica seeds, which is known for its anti-inflammatory and analgesic activities.

pictograms	GHS07
signalword	Warning
hcodes	H317 - H319
pcodes	P280 - P302 + P352 - P305 + P351 + P338
RIDADR	UN 3077 9 / PGIII
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Brucine

Empirical Formula (Hill Notation):	C₂₃H₂₆N₂O₄
CAS Number:	357-57-3
Molecular Weight:	394.46
Beilstein/REAXYS Number:	63046
EC Number:	206-614-7
MDL number:	MFCD00005942
PubChem Substance ID:	24864782
NACRES:	NA.22

Brucine may be used as chiral resolving agent for the optical resolution of tertiary acetylenic alcohols into enantiomers.

5, 25 g in glass bottle

grade	anhydrous
Quality Level	200,
assay	98%
optical activity	[α]20/D −118°, c = 2.5 in chloroform
mp	175-178 °C (dec.) (lit.)
SMILES string	[H][C@@]12CC(=O)N3c4cc(OC)c(OC)cc4[C@]56CC[N@H]7CC(=CCO1)[C@]([H])(C[C@@H]57)[C@]2([H])[C@]36[H]
InChI	1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1
InChI key	RRKTZKIUPZVBMF-IBTVXLQLSA-N

pictograms	GHS06
signalword	Danger
hcodes	H300 + H330 - H412
pcodes	P260 - P264 - P270 - P271 - P273 - P304 + P340 + P310
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type P1 (EN143) respirator filter,, type P3 (EN 143) respirator cartridges,
RIDADR	UN 1570 6.1 / PGI
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Brucine hydrate

Empirical Formula (Hill Notation):	C₂₃H₂₆N₂O₄ · xH₂O
CAS Number:	5892-11-5
Molecular Weight:	394.46 (anhydrous basis)
EC Number:	206-614-7
MDL number:	MFCD00149385
PubChem Substance ID:	24862854
NACRES:	NA.22

grade	technical grade
Quality Level	100,
optical activity	[α]20/D −67°, c = 1.3 in ethanol
mp	177-180 °C (lit.)
SMILES string	[H]O[H].[H][C@@]12CC(=O)N3c4cc(OC)c(OC)cc4[C@]56CC[N@H]7CC(=CCO1)[C@]([H])(C[C@@H]57)[C@]2([H])[C@]36[H]
InChI	1S/C23H26N2O4.H2O/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;1H2/t13-,18-,19-,21-,22-,23+;/m0./s1
InChI key	IEJIBKWJYHZFNW-SUJBTXFYSA-N

pictograms	GHS06
signalword	Danger
hcodes	H300 + H330 - H412
pcodes	P273 - P301 + P310 + P330 - P304 + P340 + P310
RIDADR	UN 1570 6.1 / PGI
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Brucine sulfate heptahydrate

Empirical Formula (Hill Notation):	C₄₆H₅₂N₄O₈ · H₂SO₄ · 7H₂O
Linear Formula:	(C₂₃H₂₆N₂O₄)₂ · H₂SO₄ · 7H₂O
CAS Number:	60583-39-3
Molecular Weight:	1013.11
EC Number:	225-432-9
MDL number:	MFCD00150159
PubChem Substance ID:	24854274
NACRES:	NA.21

grade	ACS reagent
Quality Level	200,
optical activity	[]22/D 24°, c = 1 in H₂O
ign. residue	0.1%
loss	13.0% loss on drying
mp	180 °C (dec.) (lit.)
SMILES string	[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].OS(O)(=O)=O.[H][C@@]12CC(=O)N3c4cc(OC)c(OC)cc4[C@]56CC[N@@H]7CC(=CCO1)[C@H](C[C@@H]57)[C@]2([H])[C@]36[H].[H][C@@]89CC(=O)N%10c%11cc(OC)c(OC)cc%11[C@]%12%13CC[N@@H]%14CC(=CCO8)[C@H](C[C@@H]%12%14)[C@]9([H])[C@]%10%13[H]
InChI	1S/2C23H26N2O4.H2O4S.7H2O/c21-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4;;;;;;;/h23,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);71H2/t213-,18-,19-,21-,22-,23+;;;;;;;;/m00......../s1
InChI key	PPJIVFYMRNHHTJ-JYGVWXPPSA-N

pictograms	GHS06
signalword	Danger
hcodes	H300 + H330
pcodes	P301 + P310 + P330 - P304 + P340 + P310
RIDADR	UN 1544PSN2 6.1 / PGII
WGK Germany	WGK 3

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Butyl (S)-()-2-pyrrolidone-5-carboxylate

Empirical Formula (Hill Notation):	C₉H₁₅NO₃
CAS Number:	4931-68-4
Molecular Weight:	185.22
EC Number:	225-568-9
MDL number:	MFCD06858408
PubChem Substance ID:	24867589
NACRES:	NA.22

Quality Level	100,
assay	98%
optical activity	[]20/D 13°, neat
refractive index	n20/D 1.403 (lit.)
bp	180 °C/6.5 mmHg (lit.)
density	1.104 g/mL at 25 °C (lit.)
SMILES string	CCCCOC(=O)[C@@H]1CCC(=O)N1
InChI	1S/C9H15NO3/c1-2-3-6-13-9(12)7-4-5-8(11)10-7/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChI key	QBBAJUQOYIURHA-ZETCQYMHSA-N

Calcium L-lactate hydrate may be used as a calcium precursor in the preparation of calcium-oxide based sorbents for CO2 capture.

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P261 - P305 + P351 + P338
Personal Protective Equipment	Eyeshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	235.4 °F - closed cup
Flash Point C	113 °C - closed cup

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Calcium L-lactate hydrate

Empirical Formula (Hill Notation):	C₆H₁₀CaO₆ · xH₂O
Linear Formula:	[CH₃CH(OH)COO]₂Ca · xH₂O
CAS Number:	41372-22-9
Molecular Weight:	218.22 (anhydrous basis)
Beilstein/REAXYS Number:	4923285
EC Number:	248-953-3
MDL number:	MFCD00150344
PubChem Substance ID:	57647910
NACRES:	NA.22

250 g in poly bottle
1 kg in poly bottle

Quality Level	200,
assay	98.0% (calc. based on dry substance, KT)
optical activity	[]20/D 4.2±0.5°, c = 5% in H₂O
impurities	~4 mol/mol water
SMILES string	O.C[C@H](O)C(=O)O[Ca]OC(=O)[C@H](C)O
InChI	1S/2C3H6O3.Ca.H2O/c21-2(4)3(5)6;;/h22,4H,1H3,(H,5,6);;1H2/q;;+2;/p-2/t2*2-;;/m00../s1
InChI key	MDAVASCOAJMZHZ-NVKWYWNSSA-L

Carbenoxolone disodium is a water soluble disodium salt of glycyrrhetinic acid hemisuccinate. It acts as an efficient promoter for the nasal absorption of insulin.

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 1
Flash Point F	Not applicable
Flash Point C	Not applicable

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Carbenoxolone disodium salt

Empirical Formula (Hill Notation):	C₃₄H₄₈Na₂O₇
Linear Formula:	C₃₄H₄₈O₇Na₂
CAS Number:	7421-40-1
Molecular Weight:	614.72
EC Number:	231-044-0
MDL number:	MFCD00079043
PubChem Substance ID:	57654021
NACRES:	NA.22

Quality Level	100,
assay	≥98%
storage temp.	2-8°C
SMILES string	[Na].[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]3(C)C2=CC(=O)[C@]4([H])[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@]5([H])CC[C@@]34C)C(O)=O
InChI	1S/C34H50O7.2Na/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6;;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40);;/q;2*+1/p-2/t21-,23?,24-,27+,30+,31?,32-,33+,34+;;/m0../s1
InChI key	BQENDLAVTKRQMS-FDPMUVMVSA-L

Sold in collaboration with Solvias AG

pictograms	GHS07
signalword	Warning
hcodes	H319
pcodes	P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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cataCXium® A

Empirical Formula (Hill Notation):	C₂₄H₃₉P
CAS Number:	321921-71-5
Molecular Weight:	358.54
Beilstein/REAXYS Number:	8726448
MDL number:	MFCD05861606
PubChem Substance ID:	329760425
NACRES:	NA.22

cataCXium® A or di-adamantylalkylphosphine is a bulky and electron-rich phosphine ligand that is highly effective for palladium catalyzed cross-coupling reactions such as Heck and Suzuki coupling, Buchwald-Hartwig amination of aryl chlorides, and -arylation reactions of ketones.
Other applications:

palladium-catalyzed carbonylation of aryl and heteroaryl halides
palladium-catalyzed synthesis of (hetero)aromatic nitriles
palladium-catalyzed aminocarbonylation of aryl halides

Features and Benefits

Mild reaction condition
Low catalyst loading
High yield and turn over number

US7148176
cataCXium is a registered trademark of Evonik Degussa GmbH

Quality Level	100
assay	95%
reaction suitability	reagent type: catalyst reaction type: Cross Couplings, reagent type: ligand reaction type: Arylations, reagent type: ligand reaction type: Buchwald-Hartwig Cross Coupling Reaction, reagent type: ligand reaction type: C-C Bond Formation, reagent type: ligand reaction type: Heck Reaction, reagent type: ligand reaction type: Sonogashira Coupling, reagent type: ligand reaction type: Suzuki-Miyaura Coupling
functional group	phosphine
SMILES string	CCCCP([C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)[C@@]45C[C@@H]6C[C@@H](C[C@@H](C6)C4)C5
InChI	1S/C24H39P/c1-2-3-4-25(23-11-17-5-18(12-23)7-19(6-17)13-23)24-14-20-8-21(15-24)10-22(9-20)16-24/h17-22H,2-16H2,1H3/t17-,18+,19-,20-,21+,22-,23-,24-
InChI key	HTJWUNNIRKDDIV-FECFBMJZSA-N

Personal Protective Equipment	Eyeshields, Gloves, type N95 (US)
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

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Chirald®

Empirical Formula (Hill Notation):	C₁₉H₂₅NO
Linear Formula:	C₆H₅CH₂C(C₆H₅)(OH)CH(CH₃)CH₂N(CH₃)₂
CAS Number:	38345-66-3
Molecular Weight:	283.41
Beilstein/REAXYS Number:	2384178
EC Number:	253-893-6
MDL number:	MFCD00066214
PubChem Substance ID:	24853628

10, 50 g in poly bottle

Chirald is a registered trademark of Sigma-Aldrich Co. LLC

Quality Level	200,
assay	99%
optical activity	[]21/D +8.2°, c = 10 in ethanol
mp	54-56 °C (lit.)
SMILES string	C[C@H](CN(C)C)[C@@](O)(Cc1ccccc1)c2ccccc2
InChI	1S/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3/t16-,19+/m1/s1
Inchi Key	INTCGJHAECYOBW-APWZRJJASA-N

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	235.4 °F - closed cup
Flash Point C	113 °C - closed cup

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Chloro(4-cyanophenyl)[(R)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyldicyclohexylphosphine]nickel(II) 900943-250MG

Empirical Formula (Hill Notation):	C₄₃H₆₀ClFeNNiP₂
CAS Number:	2049086-35-1
Molecular Weight:	802.88

Amination of aryl chlorides, bromides and sulfonates with ammonia. Amination of aryl carbamates with ammonia or ammonium salts.

Nickel-Catalyzed Monoarylation of Ammonia,
Valorization of the Primary Building Blocks Ammonia and Acetone Featuring Pd- and Ni-Catalyzed Monoarylations,

form	powder or solid
Quality Level	100,
reaction suitability	core: nickel, reagent type: catalyst reaction type: Asymmetric synthesis
SMILES string	Cl[Ni+2]C1=CC=C(C#N)C=C1.C[C@@H](P(C2CCCCC2)C3CCCCC3)[C]4[C][C][C][C]4P(C5CCCCC5)C6CCCCC6.[C]7[C][C][C][C]7.[Fe]

pictograms	GHS07,GHS08,GHS09
signalword	Warning
hcodes	H315 - H361d - H410
pcodes	P202 - P264 - P273 - P280 - P302 + P352 - P308 + P313
RIDADR	UN 3175 4.1 / PGII
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Chloro(4-cyanophenyl)[(R)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyldiphenylphosphine]nickel(II) 900942-250MG

Empirical Formula (Hill Notation):	C₄₃H₄₈ClFeNNiP₂
CAS Number:	2049086-36-2
Molecular Weight:	790.79

Amination of aryl chlorides with ammonium salts.

Nickel-Catalyzed Amination of Aryl Chlorides with Ammonia or Ammonium Salts,
Valorization of the Primary Building Blocks Ammonia and Acetone Featuring Pd- and Ni-Catalyzed Monoarylations,

Quality Level	100,
assay	95%
form	powder or solid
reaction suitability	core: nickel, reagent type: catalyst
SMILES string	C[Ni+]C1=CC=C(C#N)C=C1.[C]2(CP(C3=CC=CC=C3)C4=CC=CC=C4)[C][C][C][C]2P(C5CCCCC5)C6CCCCC6.[C]7[C][C][C][C]7.[Fe]

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Chloro(4-cyanophenyl)[(R)-1-[(S)-2-(diphenylphosphino)ferrocenyl]ethylditertbutylphosphine]nickel(II) 900944-250MG

Empirical Formula (Hill Notation):	C₃₉H₄₄ClFeNNiP₂
CAS Number:	2049086-34-0
Molecular Weight:	738.71

Amination of aryl chlorides with ammonia.

Nickel-Catalyzed Amination of Aryl Chlorides with Ammonia or Ammonium Salts,
Valorization of the Primary Building Blocks Ammonia and Acetone Featuring Pd- and Ni-Catalyzed Monoarylations,

Quality Level	100,
assay	95%
form	powder or solid
reaction suitability	core: nickel, reagent type: catalyst reaction type: Asymmetric synthesis
SMILES string	CC(C)(C)P(C(C)(C)C)C[C]1[C][C][C][C]1P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]C4=CC=C(C#N)C=C4.[C]5[C][C][C][C]5.[Fe]

pictograms	GHS07,GHS08,GHS09
signalword	Warning
hcodes	H315 - H361d - H410
pcodes	P202 - P264 - P273 - P280 - P302 + P352 - P308 + P313
RIDADR	UN 3175 4.1 / PGII
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Chloro(4-cyanophenyl)[(R)-1-[(S)-2-[bis(4-fluorophenyl]phosphino]ferrocenyl]ethyldi-tert-butylphosphine]nickel(II) 900941-250MG

Empirical Formula (Hill Notation):	C₃₉H₄₂ClF₂FeNNiP₂
CAS Number:	2049086-37-3
Molecular Weight:	774.69

Amination of functionalized aryl chlorides with ammonia and ammonium salts.

Quality Level	100,
assay	95%
form	powder or solid
reaction suitability	core: nickel, reagent type: catalyst
SMILES string	CC(C)(C)P(C(C)(C)C)C[C]1[C][C][C][C]1P(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3.Cl[Ni]C4=CC=C(C#N)C=C4.[C]5[C][C][C][C]5.[Fe]

100 mg in glass bottle
Bottomless glass bottle. Contents are inside inserted fused cone.

pictograms	GHS07,GHS08,GHS09
signalword	Warning
hcodes	H315 - H361d - H410
pcodes	P202 - P264 - P273 - P280 - P302 + P352 - P308 + P313
RIDADR	UN 3175 4.1 / PGII
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Chlorocyclopentadienyl[(4R,5R)-2,2-dimethyl-,,,-tetraphenyl-1,3-dioxolane-4,5-dimethanolato]titanium

Empirical Formula (Hill Notation):	C₃₆H₃₃ClO₄Ti
CAS Number:	132068-98-5
Molecular Weight:	612.96
PubChem Substance ID:	24868488
NACRES:	NA.22

A novel highly enantioselective allyl-transfer reagent. Excellent regio-, diastereo-, and enantioselectivities (usually >95% ee, >95% de) are obtained for the addition of allyl nucleophiles to aldehydes. Although this reagent is used in stoichiometric amounts, the chiral ligand and monocyclopentadienyltitanium trichloride can be easily recovered.

Quality Level	200,
assay	97%
optical activity	[]20/D -246°, c = 1 in chloroform
mp	209-213 °C (lit.)
SMILES string	Cl[Ti].[CH]1[CH][CH][CH][CH]1.CC2(C)O[C@H]([C@@H](O2)C(O)(c3ccccc3)c4ccccc4)C(O)(c5ccccc5)c6ccccc6
InChI	1S/C31H30O4.C5H5.ClH.Ti/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26;1-2-4-5-3-1;;/h3-22,27-28,32-33H,1-2H3;1-5H;1H;/q;;;+1/p-1/t27-,28-;;;/m1.../s1
InChI key	LTNGUQMGXWBBMV-CRMRIEQBSA-M

pictograms	GHS05
signalword	Danger
hcodes	H314
pcodes	P280 - P305 + P351 + P338 - P310
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type P1 (EN143) respirator filter,, type P3 (EN 143) respirator cartridges,
RIDADR	UN 3261 8 / PGII
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Chloro[2-dicyclohexylphosphino-2,6-bis(N,N-dimethylamino)biphenyl]gold(I)

Empirical Formula (Hill Notation):	C₂₈H₄₁AuClN₂P
Molecular Weight:	669.03
MDL number:	MFCD22572692
PubChem Substance ID:	329767218

assay	97%
impurities	~1% dichloromethane
mp	244-284 °C
SMILES string	Cl[Au].CN(C)c1cccc(N(C)C)c1-c2ccccc2P(C3CCCCC3)C4CCCCC4
InChI	1S/C28H41N2P.Au.ClH/c1-29(2)25-19-13-20-26(30(3)4)28(25)24-18-11-12-21-27(24)31(22-14-7-5-8-15-22)23-16-9-6-10-17-23;;/h11-13,18-23H,5-10,14-17H2,1-4H3;;1H/q;+1;/p-1
Inchi Key	KTBAHBVGVJFASH-UHFFFAOYSA-M

Cholesteryl stearate is a stearic acid ester of cholesterol. In solid-state, its autoxidation is higher than its free form.

pictograms	GHS08
signalword	Warning
hcodes	H351
pcodes	P201-P202-P280-P308 + P313-P405-P501
RIDADR	NONH for all modes of transport
WGK Germany	3

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Cholesteryl stearate

Empirical Formula (Hill Notation):	C₄₅H₈₀O₂
CAS Number:	35602-69-8
Molecular Weight:	653.12
Beilstein/REAXYS Number:	2068492
EC Number:	252-637-0
MDL number:	MFCD00003639
PubChem Substance ID:	24892584
NACRES:	NA.22

It can be used as a reference standard during the determination of tocopherols and sterols in vegetable oils by GC.

5, 25 g in glass bottle

Quality Level	100,
assay	96%
optical activity	[α]25/D −21°, c = 2 in chloroform
mp	79-83 °C (lit.)
transition temp	cholesteric phase to smectic phase 75.5 °C, isotropic phase to cholesteric phase 79.5 °C, crystalline phase to isotropic phase 83 °C
SMILES string	CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C
InChI	1S/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
Inchi Key	XHRPOTDGOASDJS-XNTGVSEISA-N

Cinchonidine is a cinchona alkaloid, which belongs to the orthorhombic crystal system and P212121 space group.

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Cinchonidine

Empirical Formula (Hill Notation):	C₁₉H₂₂N₂O
CAS Number:	485-71-2
Molecular Weight:	294.39
Beilstein/REAXYS Number:	89690
EC Number:	207-622-3
MDL number:	MFCD00006783
PubChem Substance ID:	24893015
NACRES:	NA.22

The enantioselective hydrogenation of ethyl pyruvate in the presence of cinchonidine modified platinum/alumina catalyst leads to the enantiomeric excess of ethyl (R)-lactate.

10, 100 g in poly bottle

Quality Level	200,
assay	96%
optical activity	[α]23/D −109.2°, c = 1.5 in ethanol
mp	204-206 °C (lit.)
SMILES string	O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34
InChI	1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19+/m0/s1
Inchi Key	KMPWYEUPVWOPIM-KODHJQJWSA-N
Gene Information	human ... CYP2D6(1565)

Cinchonine is a cinchona alkaloid generally found in the bark of Cinchona officinalis plants. It is a pseudoenantiomer that is commonly employed in malaria therapy. Cinchonine is also used as an organocatalyst in many asymmetric reactions.

pictograms	GHS07
signalword	Warning
hcodes	H302 - H317 - H319
pcodes	P261 - P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Cinchonine

Empirical Formula (Hill Notation):	C₁₉H₂₂N₂O
CAS Number:	118-10-5
Molecular Weight:	294.39
Beilstein/REAXYS Number:	89689
EC Number:	204-234-6
MDL number:	MFCD00064372
PubChem Substance ID:	57648242
NACRES:	NA.22

Cinchonine can be used:

As a substrate in the study of supercritical fluid chromatography (SFC) parameters in pharmaceutical analysis.
To prepare possible butyrylcholinesterase inhibitors.

Quality Level	100,
assay	≥98.0% (NT)
optical activity	[α]20/D +225±5°, c = 0.5% in ethanol
quality	crystallized
impurities	~15% dihydrocinchonine (HPLC)
mp	260-263 °C
SMILES string	O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34
InChI	1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1
Inchi Key	KMPWYEUPVWOPIM-QAMTZSDWSA-N
Gene Information	human ... CYP2D6(1565)

50 mg in glass bottle
Bottomless glass bottle. Contents are inside inserted fused cone.

pictograms	GHS07
signalword	Warning
hcodes	H302 - H317
pcodes	P261 - P264 - P270 - P280 - P301 + P312 - P302 + P352
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3

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Cinchonine monohydrochloride hydrate

Empirical Formula (Hill Notation):	C₁₉H₂₂N₂O · HCl · xH₂O
CAS Number:	206986-88-1
Molecular Weight:	330.85 (anhydrous basis)
Beilstein/REAXYS Number:	5784953
MDL number:	MFCD00191936
PubChem Substance ID:	24866328
NACRES:	NA.22

Quality Level	200,
assay	99%
optical activity	[α]20/D +101°, c = 1 in chloroform
mp	208-218 °C (lit.)
SMILES string	O[C@H]([C@H]1CC2CCN1C[C@@H]2C=C)c3ccnc4ccccc34
InChI	1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14?,18+,19-/m0/s1
Inchi Key	KMPWYEUPVWOPIM-FGVBSWQGSA-N

pictograms	GHS07
signalword	Warning
hcodes	H302 + H312 + H332
pcodes	P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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cis-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid 391190-250MG

Empirical Formula (Hill Notation):	C₆H₉NO₂
CAS Number:	22255-16-9
Molecular Weight:	127.14
MDL number:	MFCD08436672
PubChem Substance ID:	24864364
NACRES:	NA.22

Quality Level	100,
assay	98%
mp	252-256 °C (lit.)
SMILES string	[H][C@]12CN[C@H](C(O)=O)[C@@]1([H])C2
InChI	1S/C6H9NO2/c8-6(9)5-4-1-3(4)2-7-5/h3-5,7H,1-2H2,(H,8,9)/t3-,4-,5-/m0/s1
Inchi Key	JBDOTWVUXVXVDR-YUPRTTJUSA-N

Coprostan-3-ol is a cholesterol derivative that can be prepared from 5β-cholestan-3-one via reduction.

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Coprostan-3-ol

Empirical Formula (Hill Notation):	C₂₇H₄₈O
CAS Number:	360-68-9
Molecular Weight:	388.67
EC Number:	206-638-8
MDL number:	MFCD00068259
PubChem Substance ID:	57654041

It has been used as an internal standard for the determination of total amounts of cholesterol and 7-dehydrocholesterol reductase by GC/MS.
Coprostan-3-ol can be used as an internal standard:

For the determination of total amounts of cholesterol and 7-dehydrocholesterol reductase by GC-MS.
For GC-MS estimation of EpHA (16-hydroxy--amyrin) content of leaves expressing SAD1 and CYP51H10 genes with a green fluorescent protein.

10 mg in glass bottle
50 mg in poly bottle

assay	≥98%
SMILES string	[H]C12CCC3C4CCC([C@@H](C)CCCC(C)C)C4(C)CCC3C1(C)CCC(O)C2
InChI	1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
Inchi Key	QYIXCDOBOSTCEI-NWKZBHTNSA-N

Cystine ((1R,5S)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2a][1,5]diazocin-8-one) displays classical antidepressant action in various animal models of antidepressant efficacy. Infrared and Raman spectral studies suggest that it has two stable conformers.
Cytisine was found to be more effective than nicotine-replacement therapy in helping smokers to quit smoking. It is an 4 2 nicotinic receptor partial agonist. It is a plant alkaloid which is commercially extracted for use as a smoking cessation medication. Preparation of nicotine partial agonist cytisine via “in situ” Stille or Suzuki biaryl pyridine coupling has been reported. Cytisine is a competitive partial agonist at 4 subunit-containing nicotinic acetylcholine (nACh) receptors while at homomeric 7-nACh receptors it behaves as a full agonist with a relatively lower potency.

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Cytisine

Empirical Formula (Hill Notation):	C₁₁H₁₄N₂O
CAS Number:	485-35-8
Molecular Weight:	190.24
EC Number:	207-616-0
MDL number:	MFCD00136048
PubChem Substance ID:	329763123
NACRES:	NA.22

Cystine may be used as nicotine substitute in nicotine addiction therapy.
Cytisine is suitable for use in a study to compare the effects of varenicline and cytisine on ethanol consumption by rats bred for many generations as high ethanol drinkers.

100, 500 mg in glass bottle
Bottomless glass bottle. Contents are inside inserted fused cone.

Biochem/physiol Actions

Potent agonist at α3β4 and α7 nicotinic acetylcholine receptors and partial agonist at α4β2 nicotinic acetylcholine receptors.

Quality Level	100,
assay	≥99%, ≥99.0% (HPLC)
optical activity	[α]/D -108±3°, c = 1% in ethanol
bp	218 °C/2 mmHg (lit.)
mp	154-156 °C (lit.)
SMILES string	O=C1C=CC=C2C3CNCC(C3)CN12
InChI	1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1
InChI key	ANJTVLIZGCUXLD-DTWKUNHWSA-N

D-(-)-Pantolactone is a chiral auxiliary used in many asymmetric synthesis reactions.
It can be used as a chiral starting material to synthesize:

pictograms	GHS06
signalword	Danger
hcodes	H301 + H311 + H331
pcodes	P261 - P264 - P280 - P301 + P310 + P330 - P302 + P352 + P312 - P403 + P233
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type P2 (EN 143) respirator cartridges,
RIDADR	UN 1544PSN1 6.1 / PGIII
WGK Germany	WGK 3

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D-()-Pantolactone

Empirical Formula (Hill Notation):	C₆H₁₀O₃
CAS Number:	599-04-2
Molecular Weight:	130.14
Beilstein/REAXYS Number:	80957
EC Number:	209-963-3
MDL number:	MFCD00005392
PubChem Substance ID:	24854272
NACRES:	NA.22

An insect sex pheromone named 1S,2S,3R-1-acetoxymethyl-2,3,4,4-tetrameth-ylcyclopentane.
(-)-Enantiomer of (R)-8-hydroxy-4,7,7-trimethyl-7,8-dihydrocyclopenta[e]isoindole-1,3(2H,6H)-dione, a norsesquiterpene alkaloid.
A bicyclic diterpene named isofregenedadiol.

5, 25 g in glass bottle

Quality Level	200,
assay	99%
optical activity	[]25/D 49.8°, c = 2 in H₂O
bp	120-122 °C/15 mmHg (lit.)
mp	91 °C (lit.)
SMILES string	CC1(C)COC(=O)[C@@H]1O
InChI	1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1
Inchi Key	SERHXTVXHNVDKA-BYPYZUCNSA-N

D-(-)-Quinic acid, a plant metabolite, is chiral building block used in multistep chemical synthesis of natural compounds.

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 1
Flash Point F	Not applicable
Flash Point C	Not applicable

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D-()-Quinic acid

Empirical Formula (Hill Notation):	C₇H₁₂O₆
CAS Number:	77-95-2
Molecular Weight:	192.17
Beilstein/REAXYS Number:	2212412
EC Number:	201-072-8
MDL number:	MFCD00003864
PubChem Substance ID:	24848361
NACRES:	NA.22

D-(-)-Quinic acid has been used as a standard to determine the composition of organic acids in bitter gentian teas and in developing cranberry fruit by HPLC. It may be used in the preparation of 3,4-O-isopropylidene-3(R),4(S)-dihydroxycyclohexanone.
D-()-Quinic acid can be used as:

A chiral selector electrolyte along with copper(II) sulfate. This electrolyte is utilized in chiral resolution DL-tartaric acid by ligand-exchange capillary electrophoresis method.
A starting material in the synthesis of stereoisomers of 3,4,6-trihydroxyazepanes, 7-hydroxymethyl-3,4,5-trihydroxyazepanes, and 3,4,5-trihydroxyazepanes, as potential inhibitors of glycosidase.
A precursor for the preparation of trihydroxy piperidine derivatives and (+)-proto-quercitol glycosidase inhibitors.

Quality Level	200,
assay	98%
optical activity	[]20/D 43.9°, c = 11.2 in H₂O
SMILES string	O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O
InChI	1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1
InChI key	AAWZDTNXLSGCEK-WYWMIBKRSA-N

D-(-)-Tartaric acid is a polycrystalline solid, widely used as food additive. It has been reported to exhibit piezoelectric effect.
D-()-Tartaric acid is a polyhydroxy acid. Oxidation of d-tartaric acid has been reported. Crystal structure of D-()-tartaric acid has been studied by X-ray and neutron diffraction. Tartaric acid is reported to be one of the constituents of soy bean Lipositol. Tartaric acid assists in the generation Y2O3:Eu3+ nanoparticles by sol–gel method. Tartaric acid is the main acid present in grapes and red wine.

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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D-()-Tartaric acid

Empirical Formula (Hill Notation):	C₄H₆O₆
Linear Formula:	HO₂CCH(OH)CH(OH)CO₂H
CAS Number:	147-71-7
Molecular Weight:	150.09
Beilstein/REAXYS Number:	1725145
EC Number:	205-695-6
MDL number:	MFCD00004238
PubChem Substance ID:	24900012
NACRES:	NA.22

D-(-)-Tartaric acid has been used in the near-field, terahertz time-domain spectroscopic (THz-TDS) analysis of waveguides filled with polycrystalline D-tartaric acid, and with polyethylene and silicon powders.
D-(−)-Tartaric acid may be used in the synthesis of the HIV-protease inhibitor nelfinavir. It may be used in the synthesis of chiral aziridine derivative, a common intermediate for the synthesis of hydroxyethylamine class HIV protease inhibitors such as saquinavir, amprenavir, or nelfinavir.

Unnatural isomer

ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Quality Level	200,
description	synthetic
product line	ReagentPlus^®
assay	99%
optical activity	[]20/D 12°, c = 20 in H₂O
optical purity	ee: 99% (GLC)
mp	172-174 °C (lit.)
solubility	water: soluble 100 mg/mL, clear, colorless
SMILES string	O[C@@H]([C@H](O)C(O)=O)C(O)=O
InChI	1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
InChI key	FEWJPZIEWOKRBE-LWMBPPNESA-N

Chiral building block employed in the preparation of statine. Starting material in the preparation of the hypoglycemic agent enlitazone and of 15N-labeled phenylalanine.

pictograms	GHS05
signalword	Danger
hcodes	H318
pcodes	P280 - P305 + P351 + P338 + P310
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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D-(+)-3-Phenyllactic acid

Empirical Formula (Hill Notation):	C₉H₁₀O₃
Linear Formula:	C₆H₅CH₂CH(OH)CO₂H
CAS Number:	7326-19-4
Molecular Weight:	166.17
Beilstein/REAXYS Number:	2209793
EC Number:	230-803-3
MDL number:	MFCD00078062
PubChem Substance ID:	24863476
NACRES:	NA.22

5 g in glass bottle

Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 376906.pdf , Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.,

Quality Level	100,
assay	98%
optical activity	[]20/D +19°, c = 1 in ethanol
mp	122-124 °C (lit.)
SMILES string	O[C@H](Cc1ccccc1)C(O)=O
InChI	1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1
Inchi Key	VOXXWSYKYCBWHO-MRVPVSSYSA-N

D-(+)-Malic acid can be used:

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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D-(+)-Malic acid

Empirical Formula (Hill Notation):	C₄H₆O₅
Linear Formula:	HO₂CCH₂CH(OH)CO₂H
CAS Number:	636-61-3
Molecular Weight:	134.09
Beilstein/REAXYS Number:	1723540
EC Number:	211-262-2
MDL number:	MFCD00004245
PubChem Substance ID:	329747411
NACRES:	NA.22

As a starting material for the enantioselective total synthesis of ()-erinapyrone B.
As a chiral organocatalyst in the synthesis of -aminophosphonates from various aldehydes, aniline, and diethyl phosphite.

Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 02300.pdf , Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.,

Quality Level	200,
assay	97.0% (T)
optical activity	[]20/D +28.0±2°, c = 5.5% in pyridine
quality	unnatural form
mp	98-102 °C (lit.)
SMILES string	O[C@H](CC(O)=O)C(O)=O
InChI	1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1
Inchi Key	BJEPYKJPYRNKOW-UWTATZPHSA-N

D-(+)-Neopterin is a pteridine derivative, naturally found in Dictyostelium discoideum. It is found in significant amounts in the urine of cancer patients.

pictograms	GHS05,GHS07
signalword	Danger
hcodes	H315 - H318 - H335
pcodes	P261 - P280 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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D-(+)-Neopterin

Empirical Formula (Hill Notation):	C₉H₁₁N₅O₄
CAS Number:	2009-64-5
Molecular Weight:	253.21
Beilstein/REAXYS Number:	89070
EC Number:	217-924-7
MDL number:	MFCD00042801
PubChem Substance ID:	57654449
NACRES:	NA.22

D-(+)-Neopterin has been used as a NADPH oxidase inhibitor while assessing the ability of NADPH oxidases in breast cancer cells to produce reactive oxygen species (ROS). [NADPH= nicotinamide adenine dinucleotide phosphate]

10, 25, 100 mg in poly bottle

Biochem/physiol Actions

Pterin cofactor; precursor of BH4 (tetrahydrobiopterin).

Quality Level	200,
assay	97.5% (sum of enantiomers, HPLC)
storage temp.	2-8°C
SMILES string	Nc1nc(O)c2nc(cnc2n1)[C@H](O)[C@H](O)CO
InChI	1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1
InChI key	BMQYVXCPAOLZOK-XINAWCOVSA-N

D-(+)-Vesamicol is a potent inhibitor of acetycholine transport into the synaptic vesicles in cholinergic nerve terminals. It is 25-times less potent than the L-form.

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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D-(+)-Vesamicol hydrochloride

Empirical Formula (Hill Notation):	C₁₇H₂₅NO · HCl
CAS Number:	112709-60-1
Molecular Weight:	295.85
MDL number:	MFCD00069370
PubChem Substance ID:	57654723
NACRES:	NA.22

D-(+)-Vesamicol hydrochloride can be used as a reactant to prepare:

Trialkylstannyl vesamicol analogs as potent vesicular acetylcholine transporters (VAChTs) and sigma receptors.
Vesamicol analog, (+)-2-[4-(4-iodophenyl)piperidino] cyclohexanol as a possible tumor imaging agent.

Less active enantiomer of vesamicol

10 mg in poly bottle

Biochem/physiol Actions

Quality Level	100,
form	solid
color	white
solubility	DMSO: soluble, ethanol: soluble
SMILES string	Cl.O[C@H]1CCCC[C@@H]1N2CCC(CC2)c3ccccc3
InChI	1S/C17H25NO.ClH/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14;/h1-3,6-7,15-17,19H,4-5,8-13H2;1H/t16-,17-;/m0./s1
InChI key	XJNUHVMJVWOYCW-QJHJCNPRSA-N

D-,-Cyclohexylideneglycerol can be used:

pictograms	GHS07
signalword	Warning
hcodes	H302 + H312 + H332
pcodes	P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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D-,-Cyclohexylideneglycerol

Empirical Formula (Hill Notation):	C₉H₁₆O₃
CAS Number:	95335-91-4
Molecular Weight:	172.22
Beilstein/REAXYS Number:	108000
MDL number:	MFCD08276891
PubChem Substance ID:	24857694
NACRES:	NA.22

As an intermediate in the synthesis of antiarrhythmic oral drugs: (+)- and ()-mexiletine.
As a precursor in the preparation of glycoglycerolipids.
As an intermediate in the synthesis of (S)-hydroxymethyl-1,4-benzodioxane, a key intermediate for the preparation of -adrenergic receptor antagonists, and antidepressant drug doxazosin.

5 mL in glass bottle

Chiral building block; used e.g. in the synthesis of glycerides and carbohydrates

Quality Level	100,
assay	98.0% (sum of enantiomers, GC)
optical activity	[]20/D +5.9±0.5°, c = 5% in methanol
refractive index	n20/D 1.477 (lit.), n20/D 1.480
bp	118-120 °C/5 mmHg (lit.)
density	1.096 g/mL at 25 °C (lit.)
storage temp.	2-8°C
SMILES string	OC[C@H]1COC2(CCCCC2)O1
InChI	1S/C9H16O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8,10H,1-7H2/t8-/m0/s1
Inchi Key	XUGYZVQSZWPABZ-QMMMGPOBSA-N

D--Hydroxyisovaleric acid may be used in the preparation of biodegradable, optically active and isotactic poly(D-2-hydroxy-3-methylbutanoic acid).

Personal Protective Equipment	Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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D--Hydroxyisovaleric acid

Empirical Formula (Hill Notation):	C₅H₁₀O₃
CAS Number:	17407-56-6
Molecular Weight:	118.13
Beilstein/REAXYS Number:	1721139
MDL number:	MFCD00066442
PubChem Substance ID:	57651528

This chiral -hydroxy acid is used for the synthesis of peptides and depsipeptides. It is further used as chiral building block. Synthesis of -substituted -hydroxy acids via dioxolanone intermediates.

assay	98.0% (T)
optical activity	[]20/D 17±1°, c = 1% in chloroform
mp	64-67 °C
SMILES string	CC(C)[C@@H](O)C(O)=O
InChI	1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m1/s1
InChI key	NGEWQZIDQIYUNV-SCSAIBSYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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D-Hydroorotic acid 537306-1G

Empirical Formula (Hill Notation):	C₅H₆N₂O₄
CAS Number:	5988-53-4
Molecular Weight:	158.11
MDL number:	MFCD01862150
PubChem Substance ID:	24878210
NACRES:	NA.22

Quality Level	100,
assay	98%
optical activity	[]20/D 33°, c = 1 in NaHCO₃
mp	255 °C (dec.) (lit.)
SMILES string	OC(=O)[C@H]1CC(=O)NC(=O)N1
InChI	1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m1/s1
InChI key	UFIVEPVSAGBUSI-UWTATZPHSA-N

D-pinitol, commonly found conifers, is an isomer of L-quebrachitol.

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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D-Pinitol

Empirical Formula (Hill Notation):	C₇H₁₄O₆
CAS Number:	10284-63-6
Molecular Weight:	194.18
MDL number:	MFCD00216659
PubChem Substance ID:	24867648
NACRES:	NA.22

D-pinitol may be used as a starting material to prepare its azole nucleoside analogs. It may also be used in the preparation of 1D-1,5-dideoxy-1,5-difluoro-neo-inositol and 1D-1-deoxy-1-fluoro-myo-inositol.
Precursor to biologically active fluorinated isosteres of inositol, which show cell growth inhibitory properties. Has shown antidiabetic properties in mice. Believed to be a salt stress regulator in a wide range of plants.

100, 500 mg in glass bottle

Quality Level	100,
assay	95%
optical activity	[]20/D 60.0 to 70.0°, c = 1% in H₂O
mp	179-185 °C (lit.)
SMILES string	CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O
InChI	1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7+/m0/s1
InChI key	DSCFFEYYQKSRSV-KLJZZCKASA-N

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Dehydroisoandrosterone 3-acetate

Empirical Formula (Hill Notation):	C₂₁H₃₀O₃
CAS Number:	853-23-6
Molecular Weight:	330.46
EC Number:	212-714-1
MDL number:	MFCD00021119
PubChem Substance ID:	24864315
NACRES:	NA.22

Quality Level	100,
assay	97%
optical activity	[α]20/D +2.4°, c = 2 in ethanol
drug control	regulated under CDSA - not available from Sigma-Aldrich Canada
mp	168-170 °C (lit.)
SMILES string	CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
InChI	1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1
Inchi Key	NCMZQTLCXHGLOK-ZKHIMWLXSA-N

sold in collaboration with Solvias AG

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Di(1-adamantyl)-n-butylphosphine hydriodide

Empirical Formula (Hill Notation):	C₂₄H₄₀IP
CAS Number:	714951-87-8
Molecular Weight:	486.45
MDL number:	MFCD10566973
PubChem Substance ID:	329760432
NACRES:	NA.22

Phosphonium salts are ligand precursors for the palladium-catalyzed amination, and Suzuki coupling

US7148176
cataCXium is a registered trademark of Evonik Degussa GmbH

Quality Level	100,
assay	95%
reaction suitability	reaction type: Asymmetric synthesis, reagent type: ligand reaction type: Arylations, reagent type: ligand reaction type: Buchwald-Hartwig Cross Coupling Reaction, reagent type: ligand reaction type: Suzuki-Miyaura Coupling
functional group	phosphine
SMILES string	I.CCCCP([C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)[C@@]45C[C@@H]6C[C@@H](C[C@@H](C6)C4)C5
InChI	1S/C24H39P.HI/c1-2-3-4-25(23-11-17-5-18(12-23)7-19(6-17)13-23)24-14-20-8-21(15-24)10-22(9-20)16-24;/h17-22H,2-16H2,1H3;1H/t17-,18+,19-,20-,21+,22-,23-,24-;
InChI key	IBXHWLZKSOGUFS-HDWJELNESA-N

sold in collaboration with Solvias AG

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Di(1-adamantyl)benzylphosphine

Empirical Formula (Hill Notation):	C₂₇H₃₇P
CAS Number:	395116-70-8
Molecular Weight:	392.56
Beilstein/REAXYS Number:	9359745
MDL number:	MFCD05861603
PubChem Substance ID:	329760443
NACRES:	NA.22

Catalyst for:

Sonogashira coupling reaction
Ruthenium-catalyzed amination of secondary alcohols. with ammonia
Rhodium-catalyzed regioselective hydroformylation of alkenes
Reductive carbonylation
Suzuki coupling reaction

US7148176
cataCXium is a registered trademark of Evonik Degussa GmbH

Quality Level	100,
assay	95%
reaction suitability	reaction type: Buchwald-Hartwig Cross Coupling Reaction, reaction type: Heck Reaction, reaction type: Hiyama Coupling, reaction type: Negishi Coupling, reaction type: Sonogashira Coupling, reaction type: Stille Coupling, reaction type: Suzuki-Miyaura Coupling, reagent type: ligand reaction type: Asymmetric synthesis
functional group	phosphine
SMILES string	C1[C@H]2C[C@H]3C[C@@H]1C[C@@](C2)(C3)P(Cc4ccccc4)[C@@]56C[C@@H]7C[C@@H](C[C@@H](C7)C5)C6
InChI	1S/C27H37P/c1-2-4-19(5-3-1)18-28(26-12-20-6-21(13-26)8-22(7-20)14-26)27-15-23-9-24(16-27)11-25(10-23)17-27/h1-5,20-25H,6-18H2/t20-,21+,22-,23-,24+,25-,26-,27-
Inchi Key	ANIAFEJRWQDKDV-ANIFQACUSA-N

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Di-p-toluoyl-D-tartaric acid monohydrate

Empirical Formula (Hill Notation):	C₂₀H₁₈O₈ · H₂O
Linear Formula:	[CH₃C₆H₄CO₂CH(CO₂H)-]₂· H₂O
CAS Number:	71607-31-3
Molecular Weight:	404.37
EC Number:	251-132-2
MDL number:	MFCD00149567
PubChem Substance ID:	24846799
NACRES:	NA.22

Quality Level	100,
assay	98%
optical activity	[]20/D +142°, c = 1 in methanol
mp	163-165 °C (lit.)
SMILES string	O.Cc1ccc(cc1)C(=O)O[C@@H]([C@H](OC(=O)c2ccc(C)cc2)C(O)=O)C(O)=O
InChI	1S/C20H18O8.H2O/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);1H2/t15-,16-;/m0./s1
Inchi Key	FOTRUJUPLHRVNU-MOGJOVFKSA-N

Dibenzoyl-L-tartaric acid may be used as a chiral resolving agent for the resolution of racemic Troger base. It may also be used as a ligand to synthesize chiral transition metal complexes, which have potential utility in organic asymmetric catalysis.

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Dibenzoyl-L-tartaric acid

Empirical Formula (Hill Notation):	C₁₈H₁₄O₈
Linear Formula:	[C₆H₅CO₂CH(CO₂H)-]₂
CAS Number:	2743-38-6
Molecular Weight:	358.30
Beilstein/REAXYS Number:	709854
EC Number:	241-097-1
MDL number:	MFCD00003074
PubChem Substance ID:	24861354
NACRES:	NA.22

Quality Level	100,
assay	98%
optical activity	[]20/D 116°, c = 9 in ethanol
mp	152-155 °C (lit.)
SMILES string	OC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c2ccccc2)C(O)=O
InChI	1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m1/s1
InChI key	YONLFQNRGZXBBF-ZIAGYGMSSA-N

Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Dichlorobis(2-(diphenylphosphino)ethylamine)ruthenium(II)

Empirical Formula (Hill Notation):	C₂₈H₃₂Cl₂N₂P₂Ru
CAS Number:	506417-41-0
Molecular Weight:	630.49
MDL number:	MFCD07782004
PubChem Substance ID:	24884703
NACRES:	NA.22

Synthesis of long chain linear fatty acid esters
Preparation of ruthenium borohydride complexes for use in hydrogenation reactions
Dehydrogenation of ammonia boranes
Chemoselective reduction of carboxylic esters
Synthesis of ruthenium beta-aminophosphine hydrido/chloro complexes with catalytic activities

1 g in glass bottle
250 mg in glass bottle

Sold under license from Kanata Chemical Technologies Inc. for research purposes only.

Quality Level	100,
assay	95%
reaction suitability	core: ruthenium, reagent type: catalyst
mp	130-135 °C
SMILES string	Cl[Ru]Cl.NCCP(c1ccccc1)c2ccccc2.NCCP(c3ccccc3)c4ccccc4
InChI	1S/2C14H16NP.2ClH.Ru/c215-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;;;/h21-10H,11-12,15H2;2*1H;/q;;;;+2/p-2
Inchi Key	BJNVYFXBTNBKRU-UHFFFAOYSA-L

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Dichloro[(R)-(+)-2,2-bis(diphenylphosphino)-1,1-binaphthyl][(1R,2R)-(+)-1,2-diphenylethylenediamine)ruthenium(II) 701556-100MG

Empirical Formula (Hill Notation):	C₅₈H₄₈Cl₂N₂P₂Ru
CAS Number:	212143-23-2
Molecular Weight:	1006.94
MDL number:	MFCD02684565
PubChem Substance ID:	329762302
NACRES:	NA.22

mp	351-353 °C
Quality Level	100,
storage temp.	20°C
SMILES string	Cl[Ru]Cl.N[C@@H]([C@H](N)c1ccccc1)c2ccccc2.c3ccc(cc3)P(c4ccccc4)c5ccc6ccccc6c5-c7c(ccc8ccccc78)P(c9ccccc9)c%10ccccc%10
InChI	1S/C44H32P2.C14H16N2.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h1-32H;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.1.../s1
InChI key	PZTVCDSGEXHVBL-ODQAEMFESA-L

This product is a DMF/Diethyl ether solvate

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Dichloro[(R)-(+)-2,2-bis(diphenylphosphino)-1,1-binaphthyl][(2R)-()-1,1-bis(4-methoxyphenyl)-3-methyl-1,2-butanediamine]ruthenium(II) 701815-100MG

Empirical Formula (Hill Notation):	C₆₃H₅₈Cl₂N₂O₂P₂Ru
CAS Number:	329735-86-6
Molecular Weight:	1109.07
MDL number:	MFCD02684563
PubChem Substance ID:	329762323
NACRES:	NA.22

General description

100 mg in amber glass bottle

Quality Level	100,
assay	95%
optical activity	[]20/D +593°, c = 0.5 in methylene chloride
mp	180 °C
storage temp.	20°C
SMILES string	Cl[Ru]Cl.COc1ccc(cc1)C(N)([C@H](N)C(C)C)c2ccc(OC)cc2.c3ccc(cc3)P(c4ccccc4)c5ccc6ccccc6c5-c7c(ccc8ccccc78)P(c9ccccc9)c%10ccccc%10
InChI	1S/C44H32P2.C19H26N2O2.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15;;;/h1-32H;5-13,18H,20-21H2,1-4H3;2*1H;/q;;;;+2/p-2/t;18-;;;/m.1.../s1
InChI key	ZVVRWLPQKLDJRW-OEGAAENXSA-L

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Dichloro[(R,R)-ethylenebis(4,5,6,7-tetrahydro-1-indenyl)]titanium(IV) 497444-100MG

Empirical Formula (Hill Notation):	C₂₀H₂₄Cl₂Ti
CAS Number:	83462-45-7
Molecular Weight:	383.18
MDL number:	MFCD01863617
PubChem Substance ID:	329757515
NACRES:	NA.22

optical activity	[]21/D +3489°, c = 0.07 in methylene chloride
Quality Level	100,
mp	175-180 °C (lit.)
SMILES string	Cl[Ti]1(Cl)[C@]4(CC[C@]12C=CC3=C2CCCC3)C=CC5=C4CCCC5
InChI	1S/C20H24.2ClH.Ti/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;;/h9-12H,1-8,13-14H2;2*1H;/q;;;+2/p-2
Inchi Key	JCEDTJKHTKLRJD-UHFFFAOYSA-L

pictograms	GHS05
signalword	Danger
hcodes	H314
pcodes	P280 - P305 + P351 + P338 - P310
Supp Hazards	EUH014
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type P1 (EN143) respirator filter,, type P3 (EN 143) respirator cartridges,
RIDADR	UN 3261 8 / PGII
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Dichloro[(S)-()-2,2-bis(diphenylphosphino)-1,1-binaphthyl][(1R,2R)-(+)-1,2-diphenylethylenediamine] ruthenium(II) 701807-100MG

Empirical Formula (Hill Notation):	C₅₈H₄₈Cl₂N₂P₂Ru
CAS Number:	329735-87-7
Molecular Weight:	1006.94
MDL number:	MFCD02684565
PubChem Substance ID:	329762322
NACRES:	NA.22

Quality Level	100,
assay	95%
mp	>300 °C
storage temp.	20°C
InChI	1S/C44H32P2.C14H16N2.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h1-32H;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.1.../s1
Inchi Key	PZTVCDSGEXHVBL-ODQAEMFESA-L

This product is a DMF/Diethyl ether solvate

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Dichloro[(S)-()-2,2-bis(diphenylphosphino)-1,1-binaphthyl][(1S,2S)-()-1,2-diphenylethylenediamine] ruthenium(II) 701793-100MG

Empirical Formula (Hill Notation):	C₅₈H₄₈Cl₂N₂P₂Ru
CAS Number:	329736-05-2
Molecular Weight:	1006.94
MDL number:	MFCD02684566
PubChem Substance ID:	329762321
NACRES:	NA.22

General description

100 mg in amber glass bottle

Quality Level	100,
assay	95%
mp	255 °C (dec.)
storage temp.	20°C
InChI	1S/C44H32P2.C14H16N2.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h1-32H;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.0.../s1
Inchi Key	PZTVCDSGEXHVBL-LISIALKWSA-L

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Dichloro[(S,S)-ethylenebis(4,5,6,7-tetrahydro-1-indenyl)]titanium(IV)

Empirical Formula (Hill Notation):	C₂₀H₂₄Cl₂Ti
CAS Number:	83462-46-8
Molecular Weight:	383.18
MDL number:	MFCD01863618
PubChem Substance ID:	329757516
NACRES:	NA.22

optical activity	[]21/D 3486°, c = 0.07 in methylene chloride
Quality Level	100,
mp	175-180 °C (lit.)
SMILES string	Cl[Ti]1(Cl)[C@@]4(CC[C@@]12C=CC3=C2CCCC3)C=CC5=C4CCCC5
InChI	1S/C20H24.2ClH.Ti/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;;/h9-12H,1-8,13-14H2;2*1H;/q;;;+2/p-2
Inchi Key	JCEDTJKHTKLRJD-UHFFFAOYSA-L