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908568

[Ir(dFCF3ppy)2-(5,5’-dCF3bpy)]PF6

≥95%, powder or crystals

Synonym(s):

[5,5′-Bis(trifluoromethyl)-2,2′-bipyridine-N1,N1′]bis[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]Iridium(III) hexafluorophosphate

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About This Item

Empirical Formula (Hill Notation):
C36H16F22IrN4P
CAS Number:
1973375-72-2
Molecular Weight:
1145.69
MDL number:
MFCD31707657
UNSPSC Code:
12352101
NACRES:
NA.22
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Product Name

[Ir(dFCF3ppy)2-(5,5′-dCF3bpy)]PF6, ≥95%

assay

≥95%

form

powder or crystals

reaction suitability

reaction type: Photocatalysis, reagent type: catalyst

mp

>300 °C

photocatalyst activation

460 nm

SMILES string

[Ir+](c5c(c(cc(c5)F)F)c6ncc(cc6)C(F)(F)F)c3c(c(cc(c3)F)F)c4ncc(cc4)C(F)(F)F.FC(F)(F)c1cnc(cc1)c2ncc(cc2)C(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

1S/C12H6F6N2.2C12H5F5N.F6P.Ir/c13-11(14,15)7-1-3-9(19-5-7)10-4-2-8(6-20-10)12(16,17)18;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;/h1-6H;2*1-2,4-6H;;/q;;;-1;+1

InChI key

QEXYETWHTSSWGM-UHFFFAOYSA-N

Application

[Ir(dFCF3ppy)2-(5,5′-dCF3bpy)]PF6 is a cyclometalated iridium(III) complex that can be used in visible-light mediated photocatalytic organic transformations including the alkylation of remote C-H bonds and alkene aminoarylation.

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

Other Notes

Catalytic alkylation of remote C-H bonds enabled by proton-coupled electron transfer

Arylsulfonylacetamides as bifunctional reagents for alkene aminoarylation

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Gilbert J Choi et al.
Nature, 539(7628), 268-271 (2016-11-04)
Despite advances in hydrogen atom transfer (HAT) catalysis, there are currently no molecular HAT catalysts that are capable of homolysing the strong nitrogen-hydrogen (N-H) bonds of N-alkyl amides. The motivation to develop amide homolysis protocols stems from the utility of
Timothy M Monos et al.
Science (New York, N.Y.), 361(6409), 1369-1373 (2018-09-29)
Alkene aminoarylation with a single, bifunctional reagent is a concise synthetic strategy. We report a catalytic protocol for the addition of arylsulfonylacetamides across electron-rich alkenes with complete anti-Markovnikov regioselectivity and excellent diastereoselectivity to provide 2,2-diarylethylamines. In this process, single-electron alkene