94070-42-5

Basic information

• Product Name: Ir(P(C₆H₅)3)2(CO)(OD)
• CAS NO: 94070-42-5
• Molecular Weight: 762.812
• Mol File: 94070-42-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Ir(P(C₆H₅)3)2(CO)(OD)(CAS DataBase Reference)
• NIST Chemistry Reference: Ir(P(C₆H₅)3)2(CO)(OD)(94070-42-5)
• EPA Substance Registry System: Ir(P(C₆H₅)3)2(CO)(OD)(94070-42-5)

Safety Data

• Hazardous Substances Data: 94070-42-5(Hazardous Substances Data)

Upstream product

• 15318-31-7 bis(triphenylphosphine)iridium(I) carbonyl chloride 
• 94070-38-9 trans-MeOIr(CO)(PPh₃)2 
• 7789-20-0 water-d2 

Relevant articles and documents

Carbonylation of metal-oxygen bonds. Formation of carbalkoxydicarbonylbis(triphenylphosphine)iridium, ROC(O)Ir(CO)2(PPh3)2, by carbonylation of trans-alkoxycarbonylbis(triphenylphosphine)iridium, trans-ROIr(CO)(PPh3)2 (R = Me, n-Pr, Ph)

Carbonylation of the complexes trans-MeOIr(CO)(PPh3)2, trans-(n-PrO)Ir(CO)(PPh3)2, and trans-PhOIr(CO)(PPh3)2 leads to carboalkoxy complexes ROC-(O)Ir(CO)2(PPh3)2 in high yield. Identification of the intermediate Ir(CO)3(PPh3)2+ OR- indicates a two-step mechanism - first displacement of the alkoxide from the coordination sphere and then nucleophilic attack on a carbon of the cationic carbonyl complex. The hydroxy complex did not undergo carbonylation under similar conditions.