766445

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

• Synonym(s): IPr Au(MeCN)BF₄
• 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

Properties

• 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

Description

Application

Useful in the synthesis of pyrroles by amino-Claisen rearrangement

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable