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

For research use only. Not for therapeutic Use.

  • CAT Number: R029534
  • CAS Number: 64536-78-3
  • Molecular Formula: C31H50F6IrNP2-
  • Molecular Weight: 804.90
  • Purity: ≥95%
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1,5-Cyclooctadiene(pyridine)(tricyclohexylphosphine)iridium(I) hexafluorophosphate(Cat No.:R029534)is a coordination complex featuring an iridium(I) center ligated by 1,5-cyclooctadiene (COD), pyridine, and bulky tricyclohexylphosphine ligands. The compound is stabilized by a hexafluorophosphate (PF₆⁻) counterion, contributing to its solubility in polar solvents. This iridium complex is widely used in homogeneous catalysis, particularly in asymmetric hydrogenation and C–H activation reactions due to its electron-rich metal center and versatile ligand environment. The presence of both soft (phosphine) and hard (pyridine) donors enables fine-tuning of reactivity, making it a powerful tool in synthetic and organometallic chemistry.


CAS Number 64536-78-3
Synonyms

(1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(1+) hexafluorophosphate; (1,5-Cyclooctadiene)pyridine(tricyclohexylphosphine)iridium hexafluorophosphate; (η4-1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) hexafluorophos

Molecular Formula C31H50F6IrNP2-
Purity ≥95%
Storage Desiccate at +4C
IUPAC Name (1Z,5Z)-cycloocta-1,5-diene;iridium;pyridine;tricyclohexylphosphane;hexafluorophosphate
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-;;;
InChIKey WLRQNTYCIFESRH-KJWGIZLLSA-N
SMILES C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1/C=C\CC/C=C\C1.C1=CC=NC=C1.F[P-](F)(F)(F)(F)F.[Ir]
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