156579-51-0

Basic information

• Product Name: IrCl(C₂H₄)[((CH₃)2CH)2PCH₂CO₂CH₃]2
• Synonyms: IrCl(C₂H₄)[((CH₃)2CH)2PCH₂CO₂CH₃]2
• CAS NO: 156579-51-0
• Molecular Weight: 636.172
• Mol File: 156579-51-0.mol

Chemical Properties

• CAS DataBase Reference: IrCl(C₂H₄)[((CH₃)2CH)2PCH₂CO₂CH₃]2(CAS DataBase Reference)
• NIST Chemistry Reference: IrCl(C₂H₄)[((CH₃)2CH)2PCH₂CO₂CH₃]2(156579-51-0)
• EPA Substance Registry System: IrCl(C₂H₄)[((CH₃)2CH)2PCH₂CO₂CH₃]2(156579-51-0)

Safety Data

• Hazardous Substances Data: 156579-51-0(Hazardous Substances Data)

Upstream product

• 39722-81-1 di-μ-chlorotetrakis(ethene)diiridium(I) 
• 60593-37-5 iPr₂PCH₂CO₂Me 

Downstream Products

• 199463-55-3 [IrHCl(CO)(CHCHC₆H₅)(P(C₃H₇)2CH₂CO₂CH₃)2] 

Relevant articles and documents

Metal-assisted cleavage of a C-O bond of a P-bound bifunctional phosphine ligand

Treatment of [IrCl(C2H4)2]2 (1) with the phosphino ester iPr2PCH2CO2Me affords the mononuclear complex trans-[IrCl(C2H4)(iPr2PCH2CO 2Me-κP)2] (2), which reacts with CO to give trans-[IrCl(CO)(iPr2PCH2CO2Me-κP) 2] (3) and with HC≡CR to give [IrH(C≡CR)Cl-(iPr2PCH2CO 2Me-κP)(iPr2PCH2CO 2Me-κ2P,O)] (R = Ph (4), CO2Me (5)). Upon heating, the alkynylhydridoiridium compounds 4 and 5 rearrange to yield the isomeric vinylidenemetal derivatives trans-[IrCl(=C=CHR) (iPr2PCH2CO2Me-κP)2] (R = Ph (6), CO2Me (7)). Reaction of 3,6, and 7 with Al2O3/H2O leads to cleavage of a CH3-O bond of one phosphino ester ligand and gives the chelate complexes [Ir(L)(iPr2PCH2CO2Me-κP)(iPr 2PCH2CO2-κ2P,O)] (L = CO (8), C=CHPh (9), C=CHCO2Me (10)) in 80-90% yield. Compound 8 reacts with methyl iodide by oxidative addition to form the octahedral complex [IrI(CH3)(CO)(iPr2PCH2CO 2Me-κP)-(iPr2PCH2CO 2-κ2P,O)] (11). The X-ray crystal structure of 8 has been determined (triclinic, space group P1 (No. 2), with a = 9.124(5) A?, b = 11.301(7) A?, c = 12.126(6) A?, α = 79.34(4)°, β = 78.92(4)°, γ = 71.56(5)°, and Z = 2).