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Merck
CN

902225

Ir[dFMeppy]2-(4,4′-dCF3bpy)PF6

≥95%, powder

Synonym(s):

Photocatalyst

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About This Item

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

Key Documents

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Product Name

Ir[dFMeppy]2-(4,4′-dCF3bpy)PF6, ≥95%

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

assay

≥95%

form

powder

reaction suitability

core: iridium
reaction type: Photocatalysis
reagent type: catalyst

mp

>300 °C

Related Categories

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

wgk

WGK 3

Storage Class

11 - Combustible Solids

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKCJ9415

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Chip Le et al.
Science (New York, N.Y.), 360(6392), 1010-1014 (2018-06-02)
Transition metal-catalyzed arene functionalization has been widely used for molecular synthesis over the past century. In this arena, copper catalysis has long been considered a privileged platform due to the propensity of high-valent copper to undergo reductive elimination with a

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