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Type: Artigo de periódico
Title: Synthesis and spectroscopic analysis of substituted 2-aminothiazolines
Author: Ferreira, RB
Tormena, CF
Almeida, WP
Abstract: 2-Aminothiazolines can exist in two tautomeric species, amino and imino forms, which can theoretically exist as two stereoisomers. Several methods and techniques have been used to evaluate tautomeric process, but in this case N-15 NMR spectroscopy was used due to tautomeric process involves two nitrogen atoms. In this paper, we present the synthesis and a HMBC H-1-N-15 study of four 2-substituted aminothiazolines. It was observed from HMBC contour plot correlation between five membered ring CH2 groups with sp(2) nitrogen around 250 ppm, while aliphatic hydrogen correlates with sp(3) nitrogen around 90 ppm, suggesting that amino form is the major or the unique tautomer present in solution. Theoretical calculations at the M06-2X/cc-pVDZ level were performed and indicated that amino tautomer is slightly more stable (similar to 1 kcal mol(-1)) than imino one. (C) 2012 Elsevier B.V. All rights reserved.
Subject: Aminothiazolines
(NMR)-N-15 data
Country: Holanda
Editor: Elsevier Science Bv
Citation: Journal Of Molecular Structure. Elsevier Science Bv, v. 1037, n. 186, n. 190, 2013.
Rights: fechado
Identifier DOI: 10.1016/j.molstruc.2012.12.031
Date Issue: 2013
Appears in Collections:Unicamp - Artigos e Outros Documentos

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