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 |
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Pages (from-to) | 8311-8316 |
Number of pages | 6 |
Journal | ChemistrySelect |
Volume | 4 |
Issue number | 28 |
DOIs | |
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