(1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) Hexafluorophosphate

• CAS: 64536-78-3
• Catalog Number: ACM64536783
• Category: Other Products
• Molecular Weight: 804.903g/mol
• Molecular Formula: C31H50F6IrNP2-
• Synonyms: Felkin-crabtree catalyst; pyridine; (1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)-iridium(I) hexafluorophosphate, >=99.0% (C); (Tricyclohexylphosphine)(1,5-cyclooctadiene)(pyridine)iridium(I) hexafluorophosphate, 99%; (1Z,5Z)-cycloocta-1,5-diene; UNII-816RS2NBPN; ((1,2,5,6-eta)-1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(1+) hexafluorophosphate(1-); C18H33P.C8H12.C5H5N.F6P.Ir; (TRICYCLOHEXYPHOSPHINE)(1,5-CYCLOOCTADIENE)(PYRIDINE)IRIDIUM(I) HEXAFLUOROPHOSPHATE; SC-67688
• IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;iridium;pyridine;tricyclohexylphosphane;hexafluorophosphate
• Canonical SMILES: C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CC=CCCC=C1.C1=CC=NC=C1.F[P-](F)(F)(F)(F)F.[Ir]
• InChI: InChI=1S/C18H33P.C8H12.C5H5N.F6P.Ir/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1;1-7(2,3,4,5)6;/h16-18H,1-15H2;1-2,7-8H,3-6H2;1-5H;;/q;;;-1;/b;2-1-,8-7-
• InChI Key: WLRQNTYCIFESRH-KJWGIZLLSA-N
• Application: Iridium catalyst used for the highly enantioselective hydrogenation of α,β-unsaturated esters.; ; Iridium catalyst used for the stereoselective catalytic hydrogenation and conjugate reduction of 4methylitaconate derivatives bearing a chiral auxiliary.; ; Iridium catalyst used in the synthesis of thiophene-based TAK-779 analogues via C-H arylation.; ; Iridium catalyst used in the practical synthetic approach to chiral (α-chloroalkyl)boronic esters via an iridiumcatalyzed, chemoselective hydrogenation of chloro-substituted alkenyl boronates.; ; Iridium catalyst used in the regioselective C-H activation and hydrogen-isotope exchange of non-aromatic unsaturated functionality.
• Storage: 2-8°C
• Complexity: 368
• Covalently-Bonded Unit Count: 5
• Defined Bond Stereocenter Count: 2
• Exact Mass: 805.295g/mol
• Formal Charge: -1
• H-Bond Acceptor: 8
• Heavy Atom Count: 41
• Monoisotopic Mass: 805.295g/mol
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 12.9A^2
• UNII: 816RS2NBPN