[4,​4'-​Bis(tert-butyl)​-​2,​2'-​bipyridine]​bis[3,​5-​difluoro-​2-​[5-​(trifluoromethyl)​-​2-​pyridinyl]​phenyl]​iridium(III) hexafluorophosphate

CAS: 870987-63-6

Ref. TR-B588600

Product Information

• Name: [4,​4'-​Bis(tert-butyl)​-​2,​2'-​bipyridine]​bis[3,​5-​difluoro-​2-​[5-​(trifluoromethyl)​-​2-​pyridinyl]​phenyl]​iridium(III) hexafluorophosphate
• Synonyms: Iridium(1+), [4,4'-bis(1,1-dimethylethyl)-2,2'-bipyridine-kN1,kN1']bis[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-kN]phenyl-kC]-, (OC-6-33)-, hexafluorophosphate(1-), Ir[df(CF3)ppy]2(dtbbpy)PF6, [Ir(dtbbpy)[dF(CF3)ppy]2]PF6
• Brand: TRC
• Description: Applications [4,​4'-​Bis(tert-butyl)​-​2,​2'-​bipyridine]​bis[3,​5-​difluoro-​2-​[5-​(trifluoromethyl)​-​2-​pyridinyl]​phenyl]​iridium(III) hexafluorophosphate is commonly used as a catalyst in the synthesis of various compounds such as saturated N-​heterocycles from aldehydes, fosmidomycin analogue, and many more.References Jindakun, C., et al.: Org. Lett. 20, 2071-75 (2018); Guo, T., et al.: Adv. Synth. Catal., 360, 1352-57 (2018); Abbas, S.Y., et al.: Org. Lett., 20, 868-71 (2018)

Chemical properties

• Molecular weight: 976.95 + (144.96)
• Formula: C₄₂H₃₄F₁₀IrN₄·F₆P
• Color/Form: Neat
• InChI: InChI=1S/C18H24N2.2C12H5F5N.F6P.Ir/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17;1-7(2,3,4,5)6;/h7-12H,1-6H3;2*1-2,4-6H;;/q;;;-1;+1
• SMILES: CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.F[P-](F)(F)(F)(F)F.Fc1cc(F)c(-c2ccc(C(F)(F)F)cn2)c([Ir+]c2cc(F)cc(F)c2-c2ccc(C(F)(F)F)cn2)c1