Mechanism and free energy profile of base-catalyzed Knoevenagel condensation reaction

Ellen V. Dalessandro; Hugo P. Collin; Marcelo Siqueira Valle; Josefredo R. Pliego

doi:10.1039/c6ra10393f

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Mechanism and free energy profile of base-catalyzed Knoevenagel condensation reaction

Ellen V. Dalessandro Hugo P. Collin Marcelo Siqueira Valle Josefredo R. Pliego

Year: 2016 Journal: RSC Advances Vol: 6 (63)Pages: 57803-57810 Publisher: Royal Society of Chemistry

DOI: 10.1039/c6ra10393f

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Abstract

A reliable theoretical calculation of the free energy profile of a base-catalyzed Knoevenagel reaction shows that hydroxide ion elimination step is rate determining.

Keywords:

Knoevenagel condensation Catalysis Base (topology) Chemistry Hydroxide Reaction mechanism Condensation reaction Activation energy Mechanism (biology) Combinatorial chemistry Physical chemistry Organic chemistry Physics Mathematics

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Multicomponent Synthesis of Heterocycles

Physical Sciences → Chemistry → Organic Chemistry

Synthetic Organic Chemistry Methods

Physical Sciences → Chemistry → Organic Chemistry

Asymmetric Synthesis and Catalysis

Physical Sciences → Chemistry → Organic Chemistry

Mechanism and free energy profile of base-catalyzed Knoevenagel condensation reaction

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