187097-88-7

Basic information

• Product Name: (OC-6-42)-Ir(Cl)(PPh3)2(OSO2CF3)(CO)(η(1)-CHCCH2)
• CAS NO: 187097-88-7
• Molecular Weight: 968.392
• Mol File: 187097-88-7.mol

Chemical Properties

• CAS DataBase Reference: (OC-6-42)-Ir(Cl)(PPh3)2(OSO2CF3)(CO)(η(1)-CHCCH2)(CAS DataBase Reference)
• NIST Chemistry Reference: (OC-6-42)-Ir(Cl)(PPh3)2(OSO2CF3)(CO)(η(1)-CHCCH2)(187097-88-7)
• EPA Substance Registry System: (OC-6-42)-Ir(Cl)(PPh3)2(OSO2CF3)(CO)(η(1)-CHCCH2)(187097-88-7)

Safety Data

• Hazardous Substances Data: 187097-88-7(Hazardous Substances Data)

Upstream product

• 187097-86-5 (OC-6-54)-Ir(Br)(Cl)(PPh3)2(CO)(η(1)-CHCCH2) 
• 2923-28-6 silver trifluoromethanesulfonate 

Downstream Products

• 191851-97-5 (OC-6-42)-[Ir(Cl)(PPh3)2(NCMe)(CO)(η(1)-CHCCH2)](OSO2CF3) 
• 210831-00-8 ((C₆H₅)3P)2Ir(CO)(Cl)(C₃H₃P(C₆H₅)3)⁽¹⁺⁾*OSO₂CF₃^(1-)=[((C₆H₅)3P)2Ir(CO)(Cl)(C₃H₃P(C₆H₅)3)]OSO₂CF₃ 
• 191852-18-3 (OC-6-42)-[Ir(Cl)(PPh3)2(NH2iPr)(CO)(η(1)-CHCCH2)](OSO2CF3) 
• 191852-29-6 (OC-6-42)-[Ir(Cl)(PPh3)2(NH2Ph)(CO)(η(1)-CHCCH2)](OSO2CF3) 
• 191852-32-1 (OC-6-42)-[Ir(Cl)(PPh3)2(NH2(13)C6-Ph)(CO)(η(1)-CHCCH2)](OSO2CF3) 
• 191852-43-4 [Ir(Cl)(PPh3)2(CO)(η(3)-CH2C(N(C3H5)2)CH2)]OSO2CF3 
• 191852-12-7 (OC-6-42)-[Ir(Cl)(PPh3)2(NH2Me)(CO)(η(1)-CHCCH2)](OSO2CF3) 

Relevant articles and documents

Reactivity of octahedral η1-allenyl iridium toward hard nucleophiles

A labile octahedral (η1-allenyl)iridium complex, (OC-6-42)-Ir(Cl)(PPh3)2(OTf)(CO)(η 1-CHCCH2) (2a), undergoes regioselective addition with water or alcohol at the allenyl central carbon to generate the (η3-2-hydroxyallyl) and (η3-2-alkoxyallyl)iridium complexes {Ir(Cl)-(PPh3)2(CO)[η3-CH 2C(OR)CH2]}(OTf) (R = H (3), Me (4a), Et (4b)), respectively. The complex 3 and the η3-oxa-TMM species Ir(Cl)(PPh3)2(CO)[η3-CH 2C(O)CH2] (5) constitutes a conjugate acid-base pair. Hydrolysis of the η3-alkoxyallyl complexes yields 3, which further transforms into the carbon-bound iridium enolate (OC-6-52)-{Ir(Cl)(PPh3)2(OH2)(CO)[η 1-CH2C(O)CH3]}-(OTf) (6). The reaction of 2a with ammonia results in the substitution of NH3 for the triflate ligand instead of hydroamination to the allenyl ligand. The construction of the C-N bond, however, is alternatively achieved by replacing the alkoxy group in 4a or 4b with the amino group, leading to the formation of the N-protonated and N-alkylated η3-aza-TMM iridium {Ir(Cl)(PPh3)2(CO)[η3-CH 2C(NR2)CH2]}(OTf) (R = H (7a), Et (Tb)).