Solubility Measurement and Data Correlation of 5′-O-Dimethoxytrityl-N-benzoyl-deoxycytidine solvate in Three Binary Solvent Systems from 278.15 to 313.15 K

As a key intermediate in the synthesis of anticancer agents, 5′-O-Dimethoxytrityl-N-benzoyl-deoxycytidine (Bz-Dmt-dC) usually presents as a solvate and its purity plays a critical role in the production process. To obtain high purity products quickly and efficiently via crystallization, the solubility data of the compound must first be determined. Therefore, under the premise of ensuring no phase transitions during the measurement process, the solubility of solvates formed by Bz-Dmt-dC in three binary solvent systems (acetonitrile + water, acetone + water, and THF + water) were experimentally determined over the temperature range of 278.15 to 313.15 K at atmospheric pressure using the gravimetric method. The experimental results showed that, for a given solvent type and composition, the solubility of Bz-Dmt-dC increased with increasing temperature. The solubility data of Bz-Dmt-dC were correlated using the modified Apelblat, λ h, and NRTL equations. Among these, the modified Apelblat model provided the best fitting result, as indicated by the lowest average relative deviation (ARD) values of 0.7%.