944746-56-9Relevant academic research and scientific papers
Solvent and structural effects in tautomeric 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles: UV, NMR and quantum chemical study
Ajaj, Ismail,Markovski, Jasmina,Ran?i?, Milica,Mijin, Du?an,Mil?i?, Milo?,Jovanovi?, Maja,Marinkovi?, Aleksandar
, p. 575 - 585 (2015/06/17)
Abstract The state of the tautomeric equilibria of 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles, 2-PY/6-PY, was evaluated using experimental and theoretical methodology. The experimental data were interpre
A simple and convenient synthesis of tautomeric (6 or 2)-hydroxy-4-methyl- (2 or 6)-oxo-1-(substituted phenyl)-(1,2 or 1,6)-dihydropyridine-3-carbonitriles
Ajaj, Ismail,Mijin, Dusan,Maslak, Veselin,Brkovic, Danijela,Milcic, Milos,Todorovic, Nina,Marinkovic, Aleksandar
, p. 665 - 675 (2013/07/26)
A simple and convenient synthesis of tautomeric (6 or 2)-hydroxy-4-methyl- (2 or 6)-oxo-1-(substituted phenyl)-(1,2 or 1,6)-dihydropyridine-3-carbonitriles from ethyl acetoacetate and 2-cyano-N-(substituted phenyl)ethanamides using microwave-assisted chemistry is presented. The structure of the obtained product was confirmed by the use of FT-IR, NMR, UV, and MS techniques. The presence of tautomeric forms (6-hydroxy-4-methyl-2-oxo-1-(substituted phenyl)-1,2- dihydropyridine-3-carbonitrile and 2-hydroxy-4-methyl-6-oxo-1-(substituted phenyl)-1,6-dihydropyridine-3-carbonitrile) and the state of equilibrium of the obtained product in DMSO-d 6 was studied by 1H and 13C NMR spectroscopy, as well as B3LYP/6-311++G(d,p) and GIAO/WP04/aug-cc-pVDZ theoretical calculations.
