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

Jonathan Román Valdez-Camacho; Karen Paola Cortés-Guzmán; Héctor Torres-Gómez; Roberto Flores; Marco A. Leyva; Jaime Escalante

doi:10.1002/slct.201901141

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

Jonathan Román Valdez-Camacho
, Karen Paola Cortés-Guzmán
, Héctor Torres-Gómez
, Roberto Flores
, Marco A. Leyva
, Jaime Escalante

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	8311-8316
Number of pages	6
Journal	ChemistrySelect
Volume	4
Issue number	28
DOIs	https://doi.org/10.1002/slct.201901141
State	Published - Jul 31 2019
Externally published	Yes

Funding

We would like to thank CONACYT for financial support (Project No. CB2015/256653). K.P. C.-G. and J.R. V.-C thanks CONACYT for his graduate scholarship.

Keywords

Activation Energy
B3LYP functional
DFT Calculations
Diels-Alder
Tetrahydrocarbazoles

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10.1002/slct.201901141

Cite this

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

abstract = "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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doi = "10.1002/slct.201901141",

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Kinetics, Thermodynamics, and Theoretical Studies in a Diels-Alder Dimerization Process of 3-Vinylindole Derivative of the 3-Indoleacetic Acid: An Auxin. / Valdez-Camacho, Jonathan Román; Cortés-Guzmán, Karen Paola; Torres-Gómez, Héctor et al.
In: ChemistrySelect, Vol. 4, No. 28, 31.07.2019, p. 8311-8316.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Kinetics, Thermodynamics, and Theoretical Studies in a Diels-Alder Dimerization Process of 3-Vinylindole Derivative of the 3-Indoleacetic Acid

T2 - An Auxin.

AU - Valdez-Camacho, Jonathan Román

AU - Cortés-Guzmán, Karen Paola

AU - Torres-Gómez, Héctor

AU - Flores, Roberto

AU - Leyva, Marco A.

AU - Escalante, Jaime

PY - 2019/7/31

Y1 - 2019/7/31

N2 - 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.

AB - 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.

KW - Activation Energy

KW - B3LYP functional

KW - DFT Calculations

KW - Diels-Alder

KW - Tetrahydrocarbazoles

UR - https://www.scopus.com/pages/publications/85069954111

U2 - 10.1002/slct.201901141

DO - 10.1002/slct.201901141

M3 - Article

AN - SCOPUS:85069954111

SN - 2365-6549

VL - 4

SP - 8311

EP - 8316

JO - ChemistrySelect

JF - ChemistrySelect

IS - 28

ER -

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

Abstract

Funding

Keywords

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