SPECTRAL AND QUANTUM-CHEMICAL STUDY OF ACID-CATALYZED HETEROCYCLIZATION OF <i>S</i>-(2-CHLOROPROP-2-EN-1-YL)ISOTHIURONIUM CHLORIDE WITH ACETYLACETONE

Authors

  • Л. М. Синеговская A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences,1 Favorsky Str., 664033 Irkutsk, Russian Federation
  • В. А. Шагун
  • Е. П. Леванова
  • Н. А. Корчевин
  • И. Б. Розенцвейг
  • В. И. Смирнов Иркутский институт химии им. А. Е. Фаворского СО РАН, ул. Фаворского, 1, Иркутск 664033, Россия

DOI:

https://doi.org/10.1007/1607

Keywords:

S-(2-chloroprop-2-en-1-yl)isothiuronium chloride, acetylacetone, 2-[(2-chloroprop-2-en-1-yl)sulfunyl]-4, 6-dimethylpyrimidine, quantum chemical calculations, UV spectroscopy, IR spectroscopy, mass spectrometry

Abstract

The reaction of S-(2-chloroprop-2-en-1-yl)isothiuronium chloride with acetylacetone in glacial acetic acid was studied using the methods of quantum chemistry and UV, IR spectroscopy. In the framework of DFT(B3LYP) method, the influence of solvent on the thermodynamic and kinetic parameters of the formation of 2-[(2-chloroprop-2-en-1-yl) sulfanyl]-4,6-dimethylpyrimidine was was investigated.

How to Cite
Sinegovskaya, L. M.; Shagun, V. A.; Levanova, E. P.; Korchevin, N. A.; Rozentsveig, I. B.; Smirnov, V. I. Chem. Heterocycl. Compd. 2014, 50, 404. [Khim. Geterotsikl. Soedin. 2014, 440.]

For this article in the English edition see DOI 10.1007/s10593-014-1488-1

Author Biography

В. И. Смирнов, Иркутский институт химии им. А. Е. Фаворского СО РАН, ул. Фаворского, 1, Иркутск 664033, Россия

Владимир Ильич Смирнов

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Published

2014-03-17

Issue

No. 3 (2014)

Section

Original Papers