Ternary phase diagrams and solvate transformation thermodynamics of omeprazole sodium in different solvent mixtures

doi:10.1016/j.cjche.2018.07.016

Chinese Journal of Chemical Engineering ›› 2019, Vol. 27 ›› Issue (2): 362-368.DOI: 10.1016/j.cjche.2018.07.016

• Catalysis, Kinetics and Reaction Engineering • 上一篇下一篇

Ternary phase diagrams and solvate transformation thermodynamics of omeprazole sodium in different solvent mixtures

Meitang Jin^1,2, Zhao Xu^1,2, Ying Bao^1,2, Long Li^1,2, Liping Wang^1,2, Haijiao Lu^1,2, Chuang Xie^1,2, Hongxun Hao^1,2

1 School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China;
2 Collaborative Innovation Centre of Chemical Science and Engineering, Tianjin 300072, China

收稿日期:2018-01-16 出版日期:2019-02-28 发布日期:2019-03-18
通讯作者: Ying Bao
基金资助:
Supported by the National Natural Science Foundation of China (21776203 and 21576187), and the Tianjin Municipal Natural Science Foundation (18JCYBJC21100)

Ternary phase diagrams and solvate transformation thermodynamics of omeprazole sodium in different solvent mixtures

Meitang Jin^1,2, Zhao Xu^1,2, Ying Bao^1,2, Long Li^1,2, Liping Wang^1,2, Haijiao Lu^1,2, Chuang Xie^1,2, Hongxun Hao^1,2

1 School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China;
2 Collaborative Innovation Centre of Chemical Science and Engineering, Tianjin 300072, China

Received:2018-01-16 Online:2019-02-28 Published:2019-03-18
Contact: Ying Bao
Supported by:
Supported by the National Natural Science Foundation of China (21776203 and 21576187), and the Tianjin Municipal Natural Science Foundation (18JCYBJC21100)

摘要/Abstract

摘要： Omeprazole sodium (OMS), a typical non-hydrogen bond donors API, is only available in solvates so far, including monohydrate, ethanol solvate and methanol solvate. The methanol solvate was found for the first time. Solvate transformation thermodynamics of OMS was studied in this paper. First, the ternary phase diagrams forming two solvates for OMS in binary solvent mixtures including methanol + water, ethanol + water, and methanol + ethanol were measured at temperature ranging of T=(278.15 to 313.15) K under atmospheric pressure. Further, the standard equilibrium constants of the solvate transformation reactions were evaluated according to the chemical reaction isothermal equation. The standard molar Gibbs free energy, the standard molar enthalpy, and the standard molar entropy of solvate transformation reactions were then calculated based on van't Hoff equation. Moreover, the thermodynamic stability of the OMS solvate was analyzed based on phase diagram. The results are of great importance to develop a crystallization process for manufacturing OMS solvate, and could be helpful to other solvate transformation research.

关键词: Omeprazole sodium, Solvate, Phase equilibria, Ternary phase diagram, Chemical reaction, Thermodynamics

Abstract: Omeprazole sodium (OMS), a typical non-hydrogen bond donors API, is only available in solvates so far, including monohydrate, ethanol solvate and methanol solvate. The methanol solvate was found for the first time. Solvate transformation thermodynamics of OMS was studied in this paper. First, the ternary phase diagrams forming two solvates for OMS in binary solvent mixtures including methanol + water, ethanol + water, and methanol + ethanol were measured at temperature ranging of T=(278.15 to 313.15) K under atmospheric pressure. Further, the standard equilibrium constants of the solvate transformation reactions were evaluated according to the chemical reaction isothermal equation. The standard molar Gibbs free energy, the standard molar enthalpy, and the standard molar entropy of solvate transformation reactions were then calculated based on van't Hoff equation. Moreover, the thermodynamic stability of the OMS solvate was analyzed based on phase diagram. The results are of great importance to develop a crystallization process for manufacturing OMS solvate, and could be helpful to other solvate transformation research.

Key words: Omeprazole sodium, Solvate, Phase equilibria, Ternary phase diagram, Chemical reaction, Thermodynamics

Meitang Jin, Zhao Xu, Ying Bao, Long Li, Liping Wang, Haijiao Lu, Chuang Xie, Hongxun Hao. Ternary phase diagrams and solvate transformation thermodynamics of omeprazole sodium in different solvent mixtures[J]. Chinese Journal of Chemical Engineering, 2019, 27(2): 362-368.

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Ternary phase diagrams and solvate transformation thermodynamics of omeprazole sodium in different solvent mixtures

Ternary phase diagrams and solvate transformation thermodynamics of omeprazole sodium in different solvent mixtures

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