Substrate dependent reaction channels of the Wolff–Kishner reduction reaction: A theoretical study

Substrate dependent reaction channels of the Wolff–Kishner reduction reaction: A theoretical study

Wolff–Kishner reduction reactions were investigated by DFT calculations for the first time. B3LYP/6-311+G(d,p) SCRF=(PCM, solvent = 1,2-ethanediol) optimizations were carried out. To investigate the role of the base catalyst, the base-free reaction was examined by the use of acetone, hydrazine (H2N–...

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Bibliographic Details
Main Authors: Shinichi Yamabe, Guixiang Zeng, Wei Guan, Shigeyoshi Sakaki
Format: Article
Language:English
Published: Beilstein-Institut 2014-01-01
Series:Beilstein Journal of Organic Chemistry
Subjects:
acetone
acetophenone
DFT calculations
diimine intermediate
reduction reaction
transition states
Wolff–Kishner
Online Access:https://doi.org/10.3762/bjoc.10.21

Internet

https://doi.org/10.3762/bjoc.10.21

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