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766445

Sigma-Aldrich

(Acetonitrile)[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]gold(I) tetrafluoroborate

Synonym(s):

IPr Au(MeCN)BF4

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About This Item

Empirical Formula (Hill Notation):
C29H39AuBF4N3
CAS Number:
1138834-31-7
Molecular Weight:
713.41
MDL number:
MFCD18827652
UNSPSC Code:
12161600
PubChem Substance ID:
329767237
NACRES:
NA.22

form

solid

Quality Level

100

reaction suitability

core: gold
reagent type: catalyst

impurities

(May contain up to 15% of the chloride salt 696277.)

mp

162-167 °C (decomposition)

SMILES string

CC#N.F[B-](F)(F)F.CC(C)c1cccc(C(C)C)c1N2C=CN(C2=[Au+])c3c(cccc3C(C)C)C(C)C

InChI

1S/C27H36N2.C2H3N.Au.BF4/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-2-3;;2-1(3,4)5/h9-16,18-21H,1-8H3;1H3;;/q;;+1;-1

InChI key

YZYFYLAQORXITI-UHFFFAOYSA-N

Application

Useful in the synthesis of pyrroles by amino-Claisen rearrangement

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
SHBG7082V
SHBC5996

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