Beilstein J. Org. Chem.2017,13, 257–266, doi:10.3762/bjoc.13.29
-900,Maringa, PR, Brazil Departamento de Química, Universidade Federal de Santa Maria, 97105-900, Santa Maria, RS, Brazil 10.3762/bjoc.13.29 Abstract The syntheses of several polyazaheterocycles are demonstrated. The cyclocondensation reactions between β-enaminodiketones [CCl3C(O)C(=CNMe2)C(O)-CO2Et
intermediates, and from these data it was possible to explain the regiochemistry of the products obtained. Additionally, the data were a useful tool for elucidating the reaction mechanisms.
Keywords: DFT-B3LYP; polyazaheterocycles; pyrazinone; pyrido[1,2-a]pyrimidinone; pyrimido[1,2-a]benzimidazole
; quinoxalinone; thiazolo[3,2-a]pyrimidinone; Introduction
Various syntheses of polyazaheterocycles are described in the literature because they are important components for the preparation of bioactive molecules [1][2][3]. One of the most important synthetic methods towards compounds containing nitrogen atoms
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Graphical Abstract
Scheme 1:
Mechanism proposed for the formation of compound 5.