Chloro[1,3-bis(2,4,6-trimethylphenyl)2H-imidazol-2-ylidene]gold(I), 98%

CAS

852445-81-9

Catalog Number

ACM852445819

Category

Gold series of catalysts

Molecular Weight

536.854g/mol

Molecular Formula

C21H24AuClN2;

MSDS COA Spec Sheet

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Specification

Synonyms

1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene gold(I) chloride; Chloro[1,3-Bis(Mesityl)Imidazole-2-Ylidene]Gold(I); Chloro[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]gold(I); C21H24AuClN2; Chloro[1,3-bis(2,4,6-trimethylphenyl)2H-imidazol-2-ylidene]gold(I); AuCl(IMes); Chloro(1,3-dimesityl-1H-imidazol-2(3H)-ylidene)aurate(I); 3213AC;

IUPAC Name

[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold;

Canonical SMILES

CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Au]Cl)C3=C(C=C(C=C3C)C)C)C;

InChI

InChI=1S/C21H24N2.Au.ClH/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;;/h7-12H,1-6H3;;1H/q;+1;/p-1;

InChI Key

YFUIKJIITPMUAT-UHFFFAOYSA-M;

Application

Catalyst for the rearrangement of alkynyl sulfoxides to benzothiepinones

Catalyst for the rearrangement of homopropargylic ethers to α,β-unsaturated carbonyl compounds

Catalyst for oxidative cyclopropanation of N-Allylynamides to 3-aza-bicyclo[3.1.0]-hexan-2-one derivatives

Catalyst for oxidative rearrangement of homopropargylic ethers to cyclobutanones

Complexity

468

Covalently-Bonded Unit Count

Exact Mass

536.129g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

536.129g/mol

Rotatable Bond Count

Topological Polar Surface Area

6.5A^2