Gas-phase synthesis of 3-carboethoxy-quinolin-4-ones. A comprehensive computational mechanistic study to uncover the dark side of the Gould

Gas-phase synthesis of 3-carboethoxy-quinolin-4-ones. A comprehensive computational mechanistic study to uncover the dark side of the Gould–Jacobs reaction

Published:2016 Issue:87 Volume:6 Page:83973-83981
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Malvacio Ivana¹²³⁴⁵,Moyano E. Laura⁶⁷⁸⁹⁵,Vera D. Mariano A.¹²³⁴⁵

Affiliation:

1. QUIAMM-INBIOTEC – Department of Chemistry

2. School of Exact and Natural Sciences

3. National University of Mar del Plata

4. Mar del Plata

5. Argentina

6. INFIQC – Department of Organic Chemistry

7. School of Chemical Sciences

8. National University of Córdoba

9. Córdoba

Abstract

A set of 3-carboethoxy-quinolin-4-ones were synthesized from diethyl 2-((arylamino)methylene) malonates through a Gould–Jacobs cyclization using flash vacuum pyrolysis (FVP). A detailed mechanistic study was done using DFT and Coupled Clusters models.

Funder

Fondo para la Investigación Científica y Tecnológica

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA11986G

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