Quantum-chemical study of the electronic structure and reactivity of 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid methyl ester View Full Text


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Article Info

DATE

2006-02

AUTHORS

V. N. Yarovenko, S. L. Semenov, I. V. Zavarzin, N. D. Chuvylkin, M. M. Krayushkin

ABSTRACT

We have used the MNDO approximation to carry out a quantum-chemical study showing that the selectivity of acylation of 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid methyl ester under Friedel—Crafts reaction conditions in the presence of AlCl3 depends more on the electron density distribution in the complexes than on the structure parameters.

PAGES

261-267

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s10593-006-0079-1

DOI

http://dx.doi.org/10.1007/s10593-006-0079-1

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1016254605


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