An insight into the Lewis acid-catalyzed intramolecular aminocyanation and oxycyanation of alkenes: a concerted or stepwise mechanism.
Density functional theory investigations reveal that the intramolecular additions of N-CN bonds to alkenes proceed in a novel asynchronous and concerted mechanism, while the intramolecular addition of O-CN bonds to alkenes may occur by both concerted and stepwise pathways.
School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of Ministry of Education, Institute of Theoretical and Computational Chemistry, Nanjing University, 22 Hankou Road, Nanjing, Jiangsu 210093, P. R. China. shuhua@nju.edu.cn.
Jiyang
J
Zhao
Guoqiang
G
Wang
Shuhua
S
Li
D000475:Alkenes / Q000737:chemistry*; D002384:Catalysis; D058116:Lewis Acids / Q000737:chemistry*; D009570:Nitriles / Q000737:chemistry*; D011789:Quantum Theory
D000475:Alkenes; D058116:Lewis Acids; D009570:Nitriles