Email this article Quantum-Chemical Parameters for Studying the Structure – Ionization-Constant Relationship of N-Substituted Mono(Di)Halo(H)Anthranilic Acids and Their Amides and Hydrazides
- Authors: Andryukov K.V.1, Korkodinova L.M.1
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Affiliations:
- Perm State Pharmaceutical Academy
- Issue: Vol 50, No 3 (2016)
- Pages: 159-164
- Section: Article
- URL: https://ogarev-online.ru/0091-150X/article/view/244336
- DOI: https://doi.org/10.1007/s11094-016-1415-0
- ID: 244336
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Abstract
Ionization constants (pKa and pKb) of N-substituted mono(di)halo(H)anthranilic acids and their amides and hydrazides were studied as functions of their quantum-chemical parameters. The predicted pKa and pKb values calculated for 10 new compounds of this series were confirmed experimentally. An analysis of the ionization constants predicted using the proposed equations showed them to be advantageous over other computer programs.
About the authors
K. V. Andryukov
Perm State Pharmaceutical Academy
Author for correspondence.
Email: k_andrukov@mail.ru
Russian Federation, 2 Polevaya St., Perm, 614990
L. M. Korkodinova
Perm State Pharmaceutical Academy
Email: k_andrukov@mail.ru
Russian Federation, 2 Polevaya St., Perm, 614990
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