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1,3-Bis(2,6-di-isopropylphenyl)imidazol-2-ylidenegold(I) chloride, 95%

Catalog Number
ACM852445831-3
Product Name
1,3-Bis(2,6-di-isopropylphenyl)imidazol-2-ylidenegold(I) chloride, 95%
Structure
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CAS
852445-83-1
  • Product Overview
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Synonyms
852445-83-1; SC10711; 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene gold(I)chloride; {1,3-Bis[2,6-di(propan-2-yl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene}(chloro)gold; AKOS015951030; 1,3-Bis(2,6-diisopropylphenyl-imidazol-2-ylidene)gold(I) chloride; (1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene)(chloro)gold;
IUPAC Name
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-chlorogold;
Molecular Weight
621.016g/mol
Molecular Formula
C27H36AuClN2;
Canonical SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN(C2=[Au]Cl)C3=C(C=CC=C3C(C)C)C(C)C;
InChI
InChI=1S/C27H36N2.Au.ClH/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;;/h9-16,18-21H,1-8H3;;1H/q;+1;/p-1;
InChI Key
CNJQLSINQGKZAW-UHFFFAOYSA-M;
Storage
2-8°C
Complexity
559
Covalently-Bonded Unit Count
1
Exact Mass
620.223g/mol
H-Bond Acceptor
2
Heavy Atom Count
31
Monoisotopic Mass
620.223g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
6.5A^2
Application
1,3-Bis(2,6-di-isopropylphenyl)imidazol-2-ylidenegold(I) chloride, 95%, serves as a versatile catalyst in various chemical transformations, heralding a new era in catalysis akin to a 21st-century 'gold rush'. This gold-based catalyst is instrumental in the hydration of alkynes, facilitating this transformation with high efficiency. It also plays a crucial role in the rearrangement of allylic acetates, unlocking new pathways for complex molecular rearrangements. Additionally, this compound is effective in the functionalization of alkane carbon-hydrogen bonds, showcasing its ability to activate traditionally inert bonds. Furthermore, it enables room temperature hydroamination of N-alkenyl ureas, broadening the scope of accessible amine derivatives through mild reaction conditions.
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