The
present study investigating the experimental equilibrium solubility
of 2-chloro-4-amino-6,7-dimethoxyquinazoline (CADQ) dissolved in 12
kinds of neat organic solvents, including methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutyl
alcohol, ethyl acetate, toluene, N,N-dimethyl formamide (DMF), N-methylpyrrolidone (NMP),
1,4-dioxane, and cyclohexanone, was determined in an equilibrium state
by means of the isothermal saturation method at temperature ranges
of 273.15–313.15 K under normal atmospheric conditions of 101.2
kPa. The rising temperature showed the obvious positive effect on
the increasing CADQ solubility gradually, and the maximum value (0.01370
at 313.15 K, in mole fraction) was observed in NMP for the studied
temperature ranges. The equilibrated solid state of CADQ was characterized
by applying the Fourier transform infrared (FT-IR) spectrometer, resulting
in no existences of crystal transition, solvate formation, or polymorphic
transformation in the experimental process. Results showed that the
mole fraction solubility of CADQ abiding the order from high to low
is as follows: NMP (0.01370, 313.15 K) > DMF (0.01157, 313.15 K)
>
cyclohexanone (3.847 × 10–3, 313.15 K) >
ethyl
acetate (1.010 × 10–3, 313.15 K) > n-butanol (9.288 × 10–4, 313.15 K)
> isobutyl alcohol (8.408 × 10–4, 313.15
K)
> n-propanol (7.692 × 10–4, 313.15 K) > ethanol (6.934 × 10–4, 313.15
K) > isopropanol (6.220 × 10–4, 313.15 K)
>
methanol (5.437 × 10–4, 313.15 K) > 1,4-dioxane
(2.535 × 10–4, 313.15 K) > toluene (2.174
×
10–5, 313.15 K). Then, the achieved CADQ solubility
values were correlated and calculated by mathematical models containing
the modified Apelblat equation and λh equation,
respectively. As a consequence, the largest root-mean-square deviation
(RMSD) and average relative deviation (ARD) were 1.020 × 10–4 and 2.352%, respectively, which turned out to be
that the calculated data agreed well with the experimental ones.