Krische Ir Catalyst: (S)-SEGPHOS, 3-nitrobenzoate ligated RNI00091-100MG
Empirical Formula (Hill Notation): | C48H36IrNO8P2 |
Molecular Weight: | 1008.97 |
MDL number: | MFCD27978282 |
PubChem Substance ID: | 329824335 |
Catalyst developed by the Krische Group to affect the asymmetric carbonyl tert-prenylation (and allylation) from the alcohol or aldehyde oxidation level. Critical to the Krische groups approach to Bryostatin 7, this catalyst is highly relevant for polyketide synthesis.
Total Synthesis of Bryostatin 7 via C–C Bond-Forming Hydrogenation,
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reaction suitability | core: iridium, reagent type: catalyst |
SMILES string | [C][C][C].O=C(O[Ir]1)C2=C1C=CC([N+]([O-])=O)=C2.P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C6C(OCO6)=C5C7=C8C(OCO8)=CC=C7P(C9=CC=CC=C9)C%10=CC=CC=C%10 |
InChI | 1S/C38H28O4P2.C7H4NO4.C3H5.Ir/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;9-7(10)5-2-1-3-6(4-5)8(11)12;1-3-2;/h1-24H,25-26H2;1,3-4H,(H,9,10);3H,1-2H2;/q;;;+1/p-1 |
InChI key | IQGKEOYRCUDYRW-UHFFFAOYSA-M |
RIDADR | NONH for all modes of transport |
WGK Germany | WGK 3 |
Flash Point F | Not applicable |
Flash Point C | Not applicable |