当前位置: X-MOL 学术Eur. J. Org. Chem. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Computational Comparison of the Stability of Iminium Ions and Salts from Enals and Pyrrolidine Derivatives (Aminocatalysts)
European Journal of Organic Chemistry ( IF 2.8 ) Pub Date : 2022-08-08 , DOI: 10.1002/ejoc.202200627
Anna M. Costa 1 , Alejandro Castro-Alvarez 2 , Jaume Vilarrasa 3 , Daniel Fillot 4
Affiliation  

Formal exchange reactions between chiral secondary amines and iminium ions, as predicted by DFT calculations at the M06-2X level, are compared for the first time. The order of stability for these iminium species is thus established. The relative concentrations of the possible iminium ions in different media, if an enal is treated with two or more aminocatalysts, may be anticipated.

中文翻译:

Enals和吡咯烷衍生物(氨基催化剂)中亚胺离子和盐稳定性的计算比较

首次比较了 M06-2X 水平的 DFT 计算预测的手性仲胺和亚胺离子之间的形式交换反应。因此建立了这些亚胺物种的稳定性顺序。如果用两种或多种氨基催化剂处理烯醛,则可以预期不同介质中可能的亚胺离子的相对浓度。
更新日期:2022-08-08
down
wechat
bug