Shortcut Method for Solubility Prediction and Preferred Stability of Diastereomeric Cocrystals

IF 1.5 4区 工程技术 Q3 ENGINEERING, CHEMICAL Chemie Ingenieur Technik Pub Date : 2024-10-02 DOI:10.1002/cite.202400085
Dr. Peerapon Rapeenun, Dr. Sarita Songsermsawad, Prof. Dr. Adrian E. Flood
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Abstract

Diastereomeric cocrystals are used in chiral separations. Cocrystal solubility of the diastereomers is necessary for process design. Here, we extend our cocrystal solubility prediction to diastereomeric cocrystals. In this work, cocrystals of malic acid and tartaric acid were studied in four different solvents. Results showed qualitative agreement with experimental data. Hence, the shortcut method can be applied for preliminary estimation of suitable solvents for resolution. The predicted solubility lines can also serve as a tool to identify the stability between diastereomeric cocrystals.

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非对映共晶体的溶解度预测和优选稳定性捷径法
非对映共晶体用于手性分离。非对映异构体的共晶体溶解度是工艺设计的必要条件。在此,我们将共晶体溶解度预测扩展到非对映异构共晶体。在这项工作中,我们研究了苹果酸和酒石酸在四种不同溶剂中的共晶体。结果显示与实验数据基本一致。因此,捷径法可用于初步估算合适的溶解溶剂。预测的溶解度线还可作为确定非对映异构共晶体之间稳定性的工具。
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来源期刊
Chemie Ingenieur Technik
Chemie Ingenieur Technik 工程技术-工程:化工
CiteScore
3.40
自引率
15.80%
发文量
601
审稿时长
3-6 weeks
期刊介绍: Die Chemie Ingenieur Technik ist die wohl angesehenste deutschsprachige Zeitschrift für Verfahrensingenieure, technische Chemiker, Apparatebauer und Biotechnologen. Als Fachorgan von DECHEMA, GDCh und VDI-GVC gilt sie als das unverzichtbare Forum für den Erfahrungsaustausch zwischen Forschern und Anwendern aus Industrie, Forschung und Entwicklung. Wissenschaftlicher Fortschritt und Praxisnähe: Eine Kombination, die es nur in der CIT gibt!
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