Calculati̇on of pKa values some 1,2,4-tri̇azole-3-on deri̇vati̇ves

In this study, acidic ionization constants of some triazole derivatives were determined in several solvent (izo-propylalcohol, N,N-dimethylformamide, tert-butyalcohol, acetonitrile) media by potentiometric titration method according to half-neutralization method. Using the potentiometric titration data, acidic ionization constants were calculated. Thep Kavalues obtained experimentally were compared to theoretic pKa values obtained from SPARC programme (online theoretic pKa calculation programme).pKa values of compounds as experimentally were in the range of 11.45 (compound 4) - 12.88 (compound 8) for izo-propylalcohol, 12.43 (compound 5) - 13.32 (compound 8) for N,N-dimethylformamide, 12.47 (compound 1) - 15.07 (compound 10) for tert-butylalcohol, 15.41 (compound 2) - 16.53 (compound 6) for acetonitrile, as theoretically were in the range of 12.96 (compound 10) - 14.57 (compound 8) for izo-propylalcohol, 14.12 (compound 1) - 15.57 (compound 10) for N,N-dimethylformamide, 14.22 (compound 1) - 18.26 (compound 5) for tert-butylalcohol, 17.70 (compound 10) - 19.21 (compound 1) for acetonitrile. Further more, the structural effect and solvent effect on the acidity of triazole derivatives were discussed. Keywords: Triazole, Non-aqueousmedia, Acidic ionization constants