5-Substituted Benzothiophenes: Synthesis, Mechanism, and Kinetic Studies
| Autor: | Maria Funicello, Ambra Guarnaccio, Luciano D'Alessio, Maurizio D'Auria, Iole Cerminara |
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| Rok vydání: | 2016 |
| Předmět: |
integumentary system
010405 organic chemistry Chemistry organic chemicals 5-Substituted benzothiophenes Organic Chemistry Kinetics 010402 general chemistry Kinetic energy complex mixtures 01 natural sciences Biochemistry Catalysis 0104 chemical sciences Inorganic Chemistry Synthesis Computational chemistry Drug Discovery heterocyclic compounds DFT Calculations Physical and Theoretical Chemistry Mathematical simulation Mechanism (sociology) |
| Zdroj: | Helvetica chimica acta 99 (2016): 384–392. doi:10.1002/hlca.201500285 info:cnr-pdr/source/autori:Cerminara I.; D'Alessio L.; D'auria M.; Funicello M.; Guarnaccio A./titolo:5-Substituted Benzothiophenes: Synthesis, Mechanism, and Kinetic Studies/doi:10.1002%2Fhlca.201500285/rivista:Helvetica chimica acta/anno:2016/pagina_da:384/pagina_a:392/intervallo_pagine:384–392/volume:99 |
| ISSN: | 0018-019X |
| DOI: | 10.1002/hlca.201500285 |
| Popis: | The kinetics of the reaction of 4-methoxythiophenoxyacetaldehyde diethyl acetal, 4-nitrothiophenoxyacetaldehyde diethyl acetal, and 3-methoxythiophenoxyacetaldehyde diethyl acetal in polyphosphoric acid has been explained. The kinetic behavior has been explained on the basis of aided simulation and on the basis of density functional theory calculations showing a different pathway for 4-nitrothiophenoxyacetaldehyde diethyl acetal and for 4-methoxythiophenoxyacetaldehyde diethyl acetal. In this last case, a very fast competing reaction to the dimerization product was observed. |
| Databáze: | OpenAIRE |
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