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

Catalog Number
ACM64536783
Product Name
(1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) Hexafluorophosphate
Structure
(1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) Hexafluorophosphate
CAS
64536-78-3
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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;
Molecular Weight
804.903g/mol
Molecular Formula
C31H50F6IrNP2-;
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;
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
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.
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