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About This Item
Empirical Formula (Hill Notation):
C36H22F16IrN4P
CAS Number:
Molecular Weight:
1037.75
MDL number:
NACRES:
NA.22
UNSPSC Code:
12161602
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
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)
Product can be used with our line of photoreactors: Including Penn PhD (Z744035) & SynLED 2.0 (Z744080)
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 902225-500MG | 04061838635501 |
| 902225-100MG | 04061838635495 |