204756-46-7

Basic information

• Product Name: Ir(H)2(OC(O)CF₃)(P(C(CH₃)3)2C₆H₅)2
• CAS NO: 204756-46-7
• Molecular Weight: 751.873
• Mol File: 204756-46-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Ir(H)2(OC(O)CF₃)(P(C(CH₃)3)2C₆H₅)2(CAS DataBase Reference)
• NIST Chemistry Reference: Ir(H)2(OC(O)CF₃)(P(C(CH₃)3)2C₆H₅)2(204756-46-7)
• EPA Substance Registry System: Ir(H)2(OC(O)CF₃)(P(C(CH₃)3)2C₆H₅)2(204756-46-7)

Safety Data

• Hazardous Substances Data: 204756-46-7(Hazardous Substances Data)

Upstream product

• 185250-10-6 Ir(H)2F(P(t)Bu₂Ph)2 
• 400-53-3 trimethylsilyl trifluoroacetate 

Downstream Products

• 208665-08-1 Ir(H)2(P(C₄H₉)2C₆H₅)2(CO)OCOCF₃ 

Relevant articles and documents

Silyl reagents (Me3Si-X) efficiently transfer X to Ir(H)2F(PtBu2Ph)2

Me3Si-X reagents react to completion at 25°C in a short time to convert Ir(H)2FL2 (L = PtBu2Ph) to Ir(H)2XL2. This involves formation of Ir-O, Ir-N, Ir-I, Ir-S and Ir-C(sp) bonds. Products include some η2-X ligands such as carboxylate and acetamide, NHC(O)CH3. The acetamide is shown to be η2 in the solid state and in solution, but readily rearranges, by a transition state with Ir-O bond cleavage, to effect site exchange of the two inequivalent hydrides. The same synthetic approach succeeds for the more crowded metallated species and these reactions are shown to fail when F is replaced by Cl in the iridium reagent. Unsaturation at Ir is suggested to be central to the mechanism of these F/X transposition reactions.