From Mechanistic Study to Chiral Catalyst Optimization: Theoretical Insight into Binaphthophosphepine-catalyzed Asymmetric Intramolecular [3 + 2] Cycloaddition

Abstract Density functional M11 was used to study the mechanism and enantioselectivity of a binaphthophosphepine-catalyzed intramolecular [3 + 2] cycloaddition reaction. The computational results revealed that this reaction proceeds through nucleophilic addition of the phosphine catalyst to the alle...

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Bibliographic Details
Main Authors: Meng Duan, Lei Zhu, Xiaotian Qi, Zhaoyuan Yu, Yingzi Li, Ruopeng Bai, Yu Lan
Format: article
Language:EN
Published: Nature Portfolio 2017
Subjects:
R
Q
Online Access:https://doaj.org/article/67fab8e326a84725b42feca75f76448f
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