Key Mechanistic Features in Palladium-Catalyzed Methylcyclopropanation of Norbornenes With Vinyl Bromides: Insights From DFT Calculations

Key Mechanistic Features in Palladium-Catalyzed Methylcyclopropanation of Norbornenes With Vinyl Bromides: Insights From DFT Calculations

DFT calculations were performed to elucidate mechanistic details of an unusual palladium-catalyzed methylcyclopropanation from [2 + 1] cycloadditions of (Z)-2-bromovinylbenzene and endo-N-(p-tolyl)-norbornenesuccinimide. The reaction proceeds via oxidative addition (OA), intermolecular alkene insert...

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Bibliographic Details
Main Authors: Fang Ying, Yutong Zhang, Chuyue Xiang, Zhijun Song, Hujun Xie, Weiliang Bao
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-03-01
Series:Frontiers in Chemistry
Subjects:
Pd catalysis
DFT calculation
cycloaddition
mechanism
protonation
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2019.00169/full

Internet

https://www.frontiersin.org/article/10.3389/fchem.2019.00169/full

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