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Abstract A systematic investigation has been conducted into the mechanism for the silver-catalyzed direct amination of unactivated C H bonds in triflamides by density functional theory (DFT). The present work… Click to show full abstract
Abstract A systematic investigation has been conducted into the mechanism for the silver-catalyzed direct amination of unactivated C H bonds in triflamides by density functional theory (DFT). The present work is in favor of the non-radical mechanism, which consists of four parts: formation of N Ag(I) intermediate, oxidation of the N Ag(I) to N Ag(III) intermediate by PhI(OTFA)2, concerted metallation/deprotonation (CMD) process and reductive elimination. Thereinto, it is the CMD process that determines the reaction rate as well as the selectivity of the reaction.
Journal Title: Journal of Organometallic Chemistry
Year Published: 2017
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