期刊
ORGANIC & BIOMOLECULAR CHEMISTRY
卷 9, 期 11, 页码 4295-4305出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1ob05176h
关键词
-
资金
- Spanish Government [CTQ2009-11027/BQU]
Reactions were performed from aryl azides on the one hand, and activated alkenes coming from beta-dicarbonyl compounds or malonodinitrile on the other hand, either with recourse to conventional heating or to microwave activation, to afford 1-aryl-1H-1,2,3-triazoles. The mechanism and the regioselectivity of the reactions involving beta-dicarbonyl compounds have been theoretically studied using DFT methods at the B3LYP/6-31G* level: they are domino processes comprising a tautomeric equilibrium of the beta-dicarbonyl compounds with their enol forms, a 1,3-dipolar cycloaddition of the enol forms with the aryl azides (high activation energy), and a dehydration process (lower activation energy). The effect of non-conventional activation methods on the degradation of 1,2,3-triazolines was next studied experimentally. Finally, some of the 1,2,3-triazoles such synthesized were evaluated for their bactericidal and cytotoxic activities.
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