In this study, the synthesis of di-[2-(3-alkyl/aryl-4,5-dihydro-1H-1,2,4-triazol-5-one-4-yl)-azomethinephenyl] isophtalates (2a-g) from the reactions of 3-alkyl/ aryl-4-amino-4,5-dihydro-1H-1,2,4-triazol-5-ones (1a-g) with di-(2-formylphenyl) isophtalate is described. Then, the compounds 2 were treated with morpholine in the presence of formaldehyde to synthesize di-{2-[1-(morpholine-4-yl-methyl)-3alkyl(aryl)-4,5-dihydro-1H-1,2,4-triazol-5-one-4-yl]-azomethinephenyl} isophtalates (3a-g). The newly synthesized compounds were characterized using IR, 1 H-NMR and 13 C-NMR spectral data. In addition, the compounds synthesized were screened for their antimicrobial activities. Furthermore, the antioxidant properties of the newly synthesized compounds were analysed for their in-vitro potential antioxidant activities in three different methods (reducing power, free radical scavenging and metal chelating activity). These antioxidant activities were compared to those from standard antioxidants, such as BHA, BHT, EDTA and α-tocopherol.
A series of 3-alkyl(aryl)-4-[3-(2-metylbenzoxy)-4-methoxybenzylideneamino]-4,5-dihydro-1H-1,2,4-triazol-5-ones (1-9) were titrated potentiometrically with tetrabutylammonium hydroxide in four non-aqueous solvents such as isopropyl alcohol, tert-butyl alcohol, acetonitrile, and N,N-dimethylformamide (DMF), and graphs were drawn for all cases. The half-neutralization potential values and the corresponding pKa values were determined by the half neutralization method. Thus, the effects of solvents and molecular structure upon acidity were discussed.
In this study, to determine the pKa values of 2-ethoxy-6-(3-substitue-4,5-dihydro-1H-1,2,4-triazol-5-one-4-yl-azomethine)-phenyl benzoates (1-9) were titrated potentiometrically with tetrabutylammonium hydroxide in four non-aqueous solvents such as isopropyl alcohol, tert-butyl alcohol, acetone and N,N-dimethylformamide (DMF), and graphs were drawn for all cases. In addition, the effects of solvents and molecular structure upon acidity compounds 1-9 were also determined and discussed. The half-neutralization potential values and the corresponding pKa values were determined by the half neutralization method.
In this article, 1-(2,6-dimethylmorpholine-4-yl-methyl)-3-methyl-4-[3-ethoxy-(4benzenesulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one has been theoretically studied. The 1 H and 13 C NMR chemical shifts of the title molecule were calculated by the GIAO method and compared with experimental results. The vibrational frequency values of this compound have been calculated. The polarizability (α), hyperpolarizability (β), dipole moment along with molecular electrostatic potential surface of the title compound have been performed. The molecular electrostatic potential (MEP) map was calculated to assign reactive site on the surface of the molecule. The calculated electronic, structural and thermodynamic parameters of the title molecule were examined by using the density functional method (DFT/B3LYP) with 6-31G(d,p) basis set.
In this study, the effects of solvents and molecular structure upon acidity, five 3-alkyl(aryl)-4-phthalimido-4,5-dihydro-1H-1,2,4-triazol-5-ones (3-7) were potentiometrically titrated with tetrabutylammonium hydroxide (TBAH) in four different anhydrous solvents (isopropyl alcohol, acetonitrile, tert-butyl alcohol and N,N-dimethylformamide) and HNP and corresponding pKa values were determined by half-neutralization method for all cases.
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