1217115-35-9Relevant academic research and scientific papers
Experimental and theoretical investigations on the keto-enol tautomerism of 4-substituted 3-[1-methylpyrrol-2-yl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one derivatives
Pitucha, Monika,Karczmarzyk, Zbigniew,Wysocki, Waldemar,Kaczor, Agnieszka A.,Matosiuk, Dariusz
experimental part, p. 313 - 320 (2011/07/31)
Keto-enol tautomerism is a key phenomenon which determines the pharmacological activity of compounds possessing the carbonyl group. In the present study we use X-ray analysis, IR spectroscopy as well as quantum chemical calculation to address the keto-enol tautomerism of 4-substituted 3-[1-methylpyrrol-2-yl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one derivatives with antimicrobial activity. In the gas phase and in the crystalline state all the investigated molecules exist in the keto form while in the chloroform solution a small amount of the enol form in the equilibrium with the keto form is observed. The results of the calculations are in good agreement with experimental data obtained from X-ray analysis and IR spectroscopy in KBr but do not confirm the shift of the tautomeric equilibrium into the enol form in a chloroform solution.
Determination of the lipophilicity of some new derivatives of semicarbazide and 1,2,4-Triazol-5-one with potential antibacterial activity
Pitucha, Monika,Polak, Beata,Swieboda, Ryszard,Kosikowska, Urszula,Malm, Anna
experimental part, p. 570 - 576 (2009/09/07)
The chromatographic behavior of new derivatives of 1,2,4-triazol-5-one and semicarbazide was determined. The lipophilicity was confirmed by the use of a RP-TLC method. The partition coefficients were calculated by use of theoretical procedures. The correl
