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

Л. М. Синеговская; В. А. Шагун; Е. П. Леванова; Н. А. Корчевин; И. Б. Розенцвейг; В. И. Смирнов

doi:10.1007/1607

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

Л. М. Синеговская, В. А. Шагун, Е. П. Леванова, Н. А. Корчевин, И. Б. Розенцвейг, В. И. Смирнов

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

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

Full Text: PDF (Russian) Open Access

Supplementary File(s): None

Latvian Institute of Organic Synthesis - Aizkraukles iela, 21, Riga, LV-1006, Latvia - hgs@osi.lv

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