A Combined Experimental and Natural Bonding Orbital Charges Study on the One-pot Regioselective Synthesis of 4-Chloropyrazoles-Reference-Cited by-同舟云学术

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A Combined Experimental and Natural Bonding Orbital Charges Study on the One-pot Regioselective Synthesis of 4-Chloropyrazoles

Published:2014-11 Issue:11 Volume:38 Page:658-661
ISSN:1747-5198
Container-title:Journal of Chemical Research
language:en
Short-container-title:Journal of Chemical Research

Author:

Li Yi¹,Liu Yuanyuan²,Xu Guanghui¹,Chen Kai³,He Guangke³,Huang Bin²

Affiliation:

1. College of Food Science and Light Industry, Nanjing Tech University, Nanjing 211816, P.R. China

2. Department of Chemical and Pharmaceutical Engineering, Southeast University ChengXian College, Nanjing 210088, P.R. China

3. College of Science, Nanjing Tech University, Nanjing 211816, P.R. China

Abstract

The mechanism of a DMF-catalysed electrophilic/nucleophilic chlorination of pyrazole is illustrated with the aid of calculations of the natural bonding orbital charges. Its high regioselectivity and good functionality tolerance of nine pyrazole substrates have been experimentally demonstrated.

Publisher

SAGE Publications

Subject

General Chemistry

Link

http://journals.sagepub.com/doi/pdf/10.3184/174751914X14137288281925

Reference22 articles.

1. Incidence and inheritance of resistance to METI-acaricides in European strains of the two-spotted spider mite (Tetranychus urticae) (Acari: Tetranychidae)

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