The Journal of organic chemistry

Mechanistic insight into the formal [1, 3]-Migration in the thermal Claisen rearrangement

S Hou, X Li, J Xu

文献索引：Hou, Shili; Li, Xinyao; Xu, Jiaxi Journal of Organic Chemistry, 2012 , vol. 77, # 23 p. 10856 - 10869

全文：HTML全文

被引用次数: 13

摘要

The thermal formal [1, 3]-sigmatropic shift of allyl aryl ethers has been studied in depth experimentally with the aid of the density functional theory (DFT) calculations of the B3LYP function. Three mechanistic possibilities, referred to as the radical, ionic, and concerted