We focused on solubility of Olaparib under atmospheric pressure in isopropanol, MTBE, acetonitrile and tetrahydrofuran as well as in the (tetrahydrofuran+ MTBE , acetonitrile+ isopropanol) mixtures from 280.35 K to 319.35 K. It is found that the solubility of Olaparib and temperature were positively correlated in the range of our study. We chose the modified Apelblat equation, the Buchowski-Ksiazaczak eh equation, CNIBS/R-K equation and the Jouyban-Acree equation to verify the thermodynamic properties of Olaparib. Computational results showed that all selected equations agreed well with the experimental data, and the modified Apelblat equation gives the best correlation. We also selected two binary solvent dissolution systems, and the test found that (tetrahydrofuran+MTBE) mixtures may be a good recrystallization system. This study provides valuable data for Olaparib's production process purification.
Compounds
#
Formula
Name
1
C24H23FN4O3
olaparib
2
C4H8O
tetrahydrofuran
3
C2H3N
acetonitrile
4
C5H12O
2-methoxy-2-methylpropane
5
C3H8O
propan-2-ol
Datasets
The table above is generated from the ThermoML associated json file (link above).
POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied;
the numbers refer to the table of compounds on the left.