Topography of the free energy landscape of Claisen–Schmidt condensation: solvent and temperature effects on the rate-controlling step-Reference-Cited by-同舟云学术

Topography of the free energy landscape of Claisen–Schmidt condensation: solvent and temperature effects on the rate-controlling step

Published:2021 Issue:11 Volume:23 Page:6738-6745
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Coutinho Nayara Dantas¹²³⁴⁵^ORCID,Machado Hugo Gontijo⁶⁷⁸⁹¹⁰,Carvalho-Silva Valter Henrique⁶⁷⁸⁹¹⁰^ORCID,da Silva Wender Alves¹²³⁴⁵

Affiliation:

1. Laboratory of Bioactive Compounds Synthesis N.T.S.

2. University of Brasilia (IQ-UnB)

3. Campus Universitário Darcy Ribeiro

4. Brasília

5. Brazil

6. Modeling of Physical and Chemical Transformations Division

7. Theoretical and Structural Chemistry Group

8. Research and Graduate Center

9. Goias State University

10. Anapolis

Abstract

Theoretical protocols applied to Claisen–Schmidt condensation reveal how a protic solvent and a slight increase in temperature can induce the second enolization as the rate-controlling step.

Funder

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP05659F

Reference70 articles.

1. Condensationen von Ketonen mit Aldehyden

2. Ueber die Einwirkung von Aceton auf Furfurol und auf Bittermandelöl bei Gegenwart von Alkalilauge

3. Rate-equilibrium correlations for the aldol condensation: an analysis in terms of Marcus theory

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