DFT Calculations on the Mechanism of Transition-Metal-Catalyzed Reaction of Diazo Compounds with Phenols: O–H Insertion versus C

DFT Calculations on the Mechanism of Transition-Metal-Catalyzed Reaction of Diazo Compounds with Phenols: O–H Insertion versus C–H Insertion

Published:2016-08-05 Issue:32 Volume:120 Page:6485-6492
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Liu Yuan¹,Luo Zhoujie¹,Zhang John Zenghui¹,Xia Fei¹

Affiliation:

1. School of Physics and Materials Science, ‡School of Chemistry and Molecular Engineering, and §NYU−ECNU Center for Computational Chemistry at New York University Shanghai, East China Normal University, Shanghai 200062, China

Funder

Natural Science Foundation of Shanghai

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b05735

Reference55 articles.

1. Rhenium-Catalyzed Regioselective Alkylation of Phenols

2. A Highly Para-Selective Copper(II)-Catalyzed Direct Arylation of Aniline and Phenol Derivatives

3. Pd(II)-Catalyzed ortho- or meta-C–H Olefination of Phenol Derivatives

4. Iron-Catalyzed Oxidative Radical Cross-Coupling/Cyclization between Phenols and Olefins

5. Iridium-Catalyzed, Intermolecular Hydroetherification of Unactivated Aliphatic Alkenes with Phenols

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