Exploring the Mechanism of the Palladium-Catalyzed 3-Butene-2-ol Amination Reaction: A DFT Study

Exploring the Mechanism of the Palladium-Catalyzed 3-Butene-2-ol Amination Reaction: A DFT Study

Palladium-catalyzed asymmetric allylic substitution, due to its valuable reactive profile, has become a quite useful tool in organic synthesis fields. In the present study, density functional theory (DFT) calculations were applied to investigate the important factors for palladium-catalyzed 3-butene...

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Bibliographic Details
Main Authors: Lingshan Lyu, Wei Feng, Siwei Yang, Huiling Liu, Xuri Huang
Format: Article
Language:English
Published: Frontiers Media S.A. 2020-02-01
Series:Frontiers in Chemistry
Subjects:
amination
alkene alcohol
palladium catalyzed
axial chirality
DFT calculations
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2020.00048/full

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