Kinetics, Thermodynamics, and Theoretical Studies in a Diels-Alder Dimerization Process of 3-Vinylindole Derivative of the 3-Indoleacetic Acid: An Auxin.

CHEMISTRYSELECT(2019)

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摘要
In this work we present a kinetics, thermodynamics and theoretical studies of the Diels-Alder Reaction (DAR) of methyl ester of a 3-vinylindole in a solvent-free process for the synthesis of tetrahydrocarbazole. The results of the reaction kinetics analysis show that here DAR was a second order, one-step process, which indicates an associative mechanism where the s-cis and s-trans conformations produce a single activated complex.
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关键词
Activation Energy,B3LYP functional,DFT Calculations,Diels-Alder,Tetrahydrocarbazoles
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