Shortcut Method for Solubility Prediction and Preferred Stability of Diastereomeric Cocrystals

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.