902225

Ir[dFMeppy]₂-(4,4′-dCF₃bpy)PF₆

≥95%, powder

• Synonym(s): Photocatalyst
• Empirical Formula (Hill Notation): C₃₆H₂₂F₁₆IrN₄P
• CAS Number: 2229858-27-7
• Molecular Weight: 1037.75
• MDL number: MFCD32857514
• UNSPSC Code: 12161602
• NACRES: NA.22

Properties

• Product Name: Ir[dFMeppy]₂-(4,4′-dCF₃bpy)PF₆, ≥95%
• assay: ≥95%
• form: powder
• reaction suitability: core: iridium, reaction type: Photocatalysis, reagent type: catalyst
• mp: >300 °C
• SMILES string: FC1=CC(F)=C2C3=CC=C(C=[N]3[Ir+3]45([C-]2=C1)([C-]6=CC(F)=CC(F)=C6C7=CC=C(C=[N]74)C)[N]8=CC=C(C=C8C=9C=C(C=C[N]95)C(F)(F)F)C(F)(F)F)C.[F-][P+5]([F-])([F-])([F-])([F-])[F-]
• InChI: InChI=1S/C12H6F6N2.2C12H8F2N.F6P.Ir/c13-11(14,15)7-1-3-19-9(5-7)10-6-8(2-4-20-10)12(16,17)18;2*1-8-2-5-12(15-7-8)10-4-3-9(13)6-11(10)14;1-7(2,3,4,5)6;/h1-6H;2*2-3,5-7H,1H3;;/q;3*-1;+3
• InChI key: RYKRFKQFYGHADE-UHFFFAOYSA-N

Description

Application

Under a dual catalytic copper/photoredox manifold, the Mes-Umemoto reagent has been demonstrated to be an excellent photocatalyst for the trifluoromethylation of alkyl halides and aryl halides to yield alkyl-CF₃ and aryl-CF₃ in high yields. In both cases, these reactions exhibit wide substrate scope with good functional group tolerance. More specifically, a variety of 5-membered and 6-membered heteroaryl halides can be readily converted to the corresponding trifluoromethylheteroarenes under mild conditions. For trifluoromethylation reactions, use with dMesSCF₃ (901466) and supersilanol (902489).

Product can be used with our line of photoreactors: Including Penn PhD (Z744035) & SynLED 2.0 (Z744080)

Other Notes

A radical approach to the copper oxidative addition problem:Trifluoromethylation of bromoarenes

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable