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Merck
CN

763101

(Acetonitrile)[(2-di-tert-butylphosphino-3,4,5,6-tetramethyl)-2′,4′,6′-triisopropylbiphenyl]gold(I) hexafluoroantimonate

Synonym(s):

Me4-tert-butyl XPhos-AuMeCN SbF6

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About This Item

Empirical Formula (Hill Notation):
C35H56AuF6NPSb
CAS Number:
1334547-72-6
Molecular Weight:
954.52
UNSPSC Code:
12352300
PubChem Substance ID:
329767029
MDL number:
MFCD22417229

Key Documents

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InChI

1S/C33H53P.C2H3N.Au.6FH.Sb/c1-19(2)26-17-27(20(3)4)30(28(18-26)21(5)6)29-24(9)22(7)23(8)25(10)31(29)34(32(11,12)13)33(14,15)16;1-2-3;;;;;;;;/h17-21H,1-16H3;1H3;;6*1H;/q;;+1;;;;;;;+5/p-6

SMILES string

CC#[N+][Au].F[Sb-](F)(F)(F)(F)F.CC(C)c1cc(C(C)C)c(c(c1)C(C)C)-c2c(C)c(C)c(C)c(C)c2P(C(C)(C)C)C(C)(C)C

InChI key

RYAHVCSWEWNLIW-UHFFFAOYSA-H

form

solid

reaction suitability

core: gold, reagent type: catalyst

impurities

<5% Chloroform

mp

200-217 °C (decomposition)

Application

Effective gold catalyst for selective 6-endo dig carbocyclizations.

pictograms

Health hazard
GHS08

signalword

Warning

Hazard Classifications

Carc. 2 - Repr. 2 - STOT RE 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBC3650

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Francis Barabé et al.
Organic letters, 13(20), 5580-5583 (2011-09-16)
A gold-catalyzed synthesis of fused carbocycles via a regioselective 6-endo dig process is reported. The selectivity can be modulated by the steric and electronic properties of gold(I) complexes. The ligands can influence the pathway selectivity for the first bond formation

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