A DFT mechanistic study of the organocatalytic asymmetric reaction of aldehydes and homophthalic anhydride

作者:Trujillo Cristina; Rozas Isabel; Botte Astrid; Connon Stephen J
来源:Chemical Communications, 2017, 53(63): 8874-8877.
DOI:10.1039/c7cc04596d

摘要

The first DFT study of the cycloaddition of benzaldehyde with homophthalic anhydride under the influence of a bifunctional organocatalyst is reported. The catalyst first binds and then deprotonates the anhydride, leading to a squaramide-bound enolate, which then adds to the aldehyde with activation of the electrophile by the catalyst's ammonium ion.

  • 出版日期2017-8-14