Theoretical investigation of tautomerism of 2- and 4-pyridones: origin, substituent and solvent effects-Reference-Cited by-同舟云学术

Theoretical investigation of tautomerism of 2- and 4-pyridones: origin, substituent and solvent effects

Published:2024 Issue:1 Volume:22 Page:144-158
ISSN:1477-0520
Container-title:Organic & Biomolecular Chemistry
language:en
Short-container-title:Org. Biomol. Chem.

Author:

Baranac-Stojanović Marija¹^ORCID,Aleksić Jovana²,Stojanović Milovan²

Affiliation:

1. University of Belgrade – Faculty of Chemistry, Studentski trg 12-16, P. O. Box 158, 11000 Belgrade, Serbia

2. University of Belgrade – Institute of Chemistry, Technology and Metallurgy – Center for Chemistry, Njegoševa 12, P. O. Box 473, 11000 Belgrade, Serbia

Abstract

DFT calculations show that the tautomeric equilibria of 2- and 4-pyridones are controlled by different effects and can be modulated by substituents and medium polarity. A more polar medium favours the more polar lactam form.

Funder

Ministarstvo Prosvete, Nauke i Tehnološkog Razvoja

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2024/OB/D3OB01588B

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