Computational elucidation of the reaction mechanism for synthesis of pyrrolidinedione derivatives via Nef-type rearrangement – cyclization reaction-Reference-Cited by-同舟云学术

Computational elucidation of the reaction mechanism for synthesis of pyrrolidinedione derivatives via Nef-type rearrangement – cyclization reaction

Published:2018 Issue:6 Volume:8 Page:3178-3188
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Ilieva Eleonora D.¹²³⁴,Petrova Galina P.¹²³⁴,Nikolova Rositca D.¹²³⁴,Vayssilov Georgi N.¹²³⁴^ORCID

Affiliation:

1. Faculty of Chemistry and Pharmacy

2. University of Sofia

3. 1126 Sofia

4. Bulgaria

Abstract

A quantum chemical study of all stages of pyrrolidinedione derivative synthesis from nitromethane and coumarin, which includes Michael addition, migration of an oxygen atom (Nef-type rearrangement), and cyclization to a pyrrolidine ring is reported.

Funder

H2020 Spreading Excellence and Widening Participation

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/RA/C7RA11908A

Reference38 articles.

1. Ring Opening Reactions of 3-Phosphonocoumarin Under Michael Reaction Conditions

2. A New and Efficient Method for the Synthesis of 3,4-Disubstituted Pyrrolidine-2,5-diones

3. Conformational analysis of clinically active anticonvulsant drugs

4. Pharmacophore searching and QSAR analysis in the design of anticonvulsant drugs

5. New antiepileptic agents: structure–activity relationships

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