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CAS 873779-78-3

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[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chloro-copper

Description:
[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chloro-copper, with the CAS number 873779-78-3, is a coordination compound featuring a copper center coordinated to a bidentate imidazolium ligand. This compound is characterized by its imidazolium structure, which is a type of N-heterocyclic carbene (NHC) that stabilizes the copper ion through strong σ-donation. The presence of the bulky 2,4,6-trimethylphenyl groups enhances the steric properties of the ligand, which can influence the reactivity and stability of the complex. Typically, such compounds exhibit interesting catalytic properties, particularly in organic synthesis and cross-coupling reactions. The chloro ligand indicates that it can participate in further coordination or substitution reactions, making it versatile in various chemical applications. Additionally, the electronic properties of the imidazolium ligand can affect the oxidation state of the copper, allowing for a range of oxidation states and reactivity patterns. Overall, this compound is of interest in coordination chemistry and catalysis due to its unique structural and electronic characteristics.
Formula:C21H24ClCuN2
InChI:InChI=1/C21H24N2.ClH.Cu/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/rC21H24ClCuN2/c1-13-9-15(3)19(16(4)10-13)24-7-8-25(21(24)23-22)20-17(5)11-14(2)12-18(20)6/h7-12H,1-6H3
SMILES:Cc1cc(C)c(c(C)c1)N1#CN(C=C1)c1c(C)cc(C)cc1C.Cl.[Cu]
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