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J Phys Chem A. 2016 Dec 29;120(51):10116-10122. doi: 10.1021/acs.jpca.6b08317. Epub 2016 Dec 15.

Origin of Substituent Effect on Tautomeric Behavior of 1,2,4-Triazole Derivatives: Combined Spectroscopic and Theoretical Study.

The journal of physical chemistry. A

Tetiana Sergeieva, Maria Bilichenko, Sergiy Holodnyak, Yulia V Monaykina, Sergiy I Okovytyy, Sergiy I Kovalenko, Eugene Voronkov, Jerzy Leszczynski

Affiliations

  1. Department of Chemistry, Oles Honchar Dnipropetrovsk National University , 72 Gagarina Ave., Dnipro 49050, Ukraine.
  2. Department of Pharmacy, Zaporihzhya State Medical University , 26 Mayakovsky Ave., Zaporihzhya 69035, Ukraine.
  3. Interdisciplinary Nanotoxicity Center, Jackson State University , 1400 J. R. Lynch Str., Jackson, Mississippi 39217, United States.
  4. Department of Physics, V. Lazaryana Dnipropetrovsk National University of Railway Transport , 2 Lazaryana Str., Dnipro 49010, Ukraine.

PMID: 27977199 DOI: 10.1021/acs.jpca.6b08317

Abstract

The reaction of 2-aryl-[1,2,4]triazolo[1,5-c]quinazolines with nucleophilic reagents (hydrazine hydrate, sodium hydroxide, sodium methoxide, hydrochloric acid) under acidic conditions leads to formation of compounds that tend to tautomerize. The products of the transformation are distinguished by the position (ortho-, meta-, para-) of the OCH

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