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Experimental and computational studies on the mechanism of N-heterocycle CH activation by Rh (I)

SH Wiedemann, JC Lewis, JA Ellman…

文献索引:Wiedemann, Sean H.; Lewis, Jared C.; Ellman, Jonathan A.; Bergman, Robert G. Journal of the American Chemical Society, 2006 , vol. 128, # 7 p. 2452 - 2462

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被引用次数: 155

摘要

Evidence is presented for a proposed mechanism of CH activation of 3-methyl-3, 4- dihydroquinazoline (1) by (PCy3) 2RhCl. One intermediate (3), a coordination complex of 1 with (PCy3) 2RhCl, 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 CH activation takes place intramolecularly on the reaction coordinate between 3 and 2. ...