Molecular Formula | C17H14N4O2 |
Molar Mass | 306.32 |
Density | 1.336 |
Melting Point | >257oC (dec.) |
Boling Point | 587.9±60.0 °C(Predicted) |
Flash Point | 309.367°C |
Solubility | DMSO (Slightly), Methanol (Slightly, Heated) |
Vapor Presure | 0mmHg at 25°C |
Appearance | Solid |
Color | Pale Beige |
pKa | 4.35±0.10(Predicted) |
Storage Condition | under inert gas (nitrogen or Argon) at 2–8 °C |
Stability | Hygroscopic |
Refractive Index | 1.676 |
Physical and Chemical Properties | 4-methyl -3-[[4-(3-pyridyl)-2-pyrimidinyl] amino] Benzoic acid is a yellow-white solid with some solubility in methanol and dimethyl sulfoxide. |
Use | 4-methyl -3-[[4-(3-pyridyl)]-2-pyrimidinyl] amino] benzoic acid plays an important role in the synthesis of the antitumor drug molecule nilotinib, however, the carboxyl group in its structure can still be converted into acid chloride and then into ester group by the action of dichlorosulfoxide. |
synthetic method | LiOH (0.24g, 10 mmol, 8 eq.) dissolve in a 3:1 mixture of methanol and water (12 ml) add 4-methyl -3-[[4-(3-pyridyl)] to the above reaction mixture-2-pyrimidinyl] amino] benzoic acid methyl ester (0.4g,1.25 mmol), the reaction mixture was stirred at room temperature for 8 hours, the reaction was acidified to pH = 1 with 1 N HCl, the solvent was concentrated under reduced pressure, and the obtained residue was purified by silica gel column chromatography, the target product 4-methyl -3-[[4-(3-pyridyl)-2-pyrimidinyl] amino] benzoic acid was obtained. |