Substituent Effects on the Alkaline Hydrolysis of 1-Methylbarbituric Acid Derivatives

概要

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Hydrolytic reactions of 5,5-disubstituted 1-methylbarbituric acid derivatives at 30°, 40°, and 50° in alkaline solutions of various concentrations were investigated, and the rate constants and thermodynamic parameters of all of the compounds tested were determined. As physico-chemical parameters which might reflect the substituent effect on the hydrolytic rate, the acid dissociation constant (pK_a), the value of ^<13>C chemical shift (δ_c) at the 5-position, the "six number" (Six No.), and the molecular connectivity index (χ) were selected. An extrathermodynamic linear equation was then derived using these parameters. The correlation between log k'OH and the combined parameters pK_a and δ_c (5) was largest, as determined by multiple regression analyses.
公益社団法人日本薬学会の論文
1979-07-25