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• W2042481895 abstract "Evidence is presented for a proposed mechanism of C-H activation of 3-methyl-3,4-dihydroquinazoline (1) by (PCy(3))(2)RhCl. One intermediate (3), a coordination complex of 1 with (PCy(3))(2)RhCl, was identified along the path to the Rh-N-heterocyclic carbene product of this reaction (2). Isotopic labeling and reaction-rate studies were used to demonstrate that C-H activation takes place intramolecularly on the reaction coordinate between 3 and 2. Computational studies corroborate the proposed mechanism and suggest that the rate-limiting step is oxidative addition of the C-H bond to the metal center. The consequences of this mechanism for coupling reactions of N-heterocycles that occur via Rh-catalyzed C-H bond activation are discussed." @default.
• W2042481895 created "2016-06-24" @default.
• W2042481895 creator A5012406363 @default.
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• W2042481895 date "2006-01-25" @default.
• W2042481895 modified "2023-10-18" @default.
• W2042481895 title "Experimental and Computational Studies on the Mechanism of <i>N</i>-Heterocycle C−H Activation by Rh(I)" @default.
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• W2042481895 doi "https://doi.org/10.1021/ja0576684" @default.
• W2042481895 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/2585050" @default.
• W2042481895 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16478202" @default.
• W2042481895 hasPublicationYear "2006" @default.
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