129505-86-8Relevant academic research and scientific papers
ANIONS OF 1,2,4-TRIAZOLES I. BASICITY WITH RESPECT TO THE HYDROGEN AND THE CARBON IN THE ANIONS OF 3-NITRO-5-R-1,2,4-TRIAZOLES
Serov, Yu. V.,Pevzner, M. S.,Kofman, T. P.,Tselinskii, I. V.
, p. 773 - 777 (2007/10/02)
The ionization constants (Ka) and equilibrium constants of hydroxymethylation (Kf) were determined for a series of 3-nitro-5-R-1,2,4-triazoles at various temperatures by spectrophotometry in aqueous buffer solutions.The thermodynamic parameters of the equilibria were calculated.The pKa values correlate by a two-parameter equation with the ?I0 and ?R0 constants of the substituents at position 5 of the triazole ring.The correlation between the log Kf values and ?I0 and ?R0 is not good.A satisfactory correlation is observed between the log Kf and pKa values, and this makes it possible to predict the position of equilibrium in the reactions of 1,2,4-triazoles with formaldehyde.
