Molecular Formula | C6H4N2O2S |
Molar Mass | 168.17 |
Density | 1.517±0.06 g/cm3(Predicted) |
Melting Point | >300 °C |
Boling Point | 274.804°C at 760 mmHg |
Flash Point | 119.997°C |
Vapor Presure | 0.009mmHg at 25°C |
pKa | 10.40±0.20(Predicted) |
Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
Refractive Index | 1.715 |
MDL | MFCD09909655 |
Risk Codes | 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
Safety Description | S24/25 - Avoid contact with skin and eyes. S36/37 - Wear suitable protective clothing and gloves. |
HS Code | 29335990 |
application | 1, 3-dihydrothiophene [3,2-D] pyrimidine -2, 4-dione is a pharmaceutical intermediate, which can be prepared by the reaction of methyl 3-aminothiophene-2-formate in urea. There are reports that it can be used to prepare PI3K inhibitors. |
preparation | at room temperature, 47.0g(0.64mol) of urea is added to 250mL of eggplant bottle, and the temperature is raised to 140 ℃ to make urea in molten state, 20.0g(0.13mol) of methyl 3-aminothiophene-2-formate (a) was added in two batches under stirring, and then the temperature was raised to 190 ℃ for 2.5h. Cool the reaction solution to 120 ℃, add the reaction solution to 200mL of 20% sodium hydroxide aqueous solution while hot, stir until most of the solid is dissolved, filter by suction, filter out insoluble matter, adjust pH to 3 with 2M hydrochloric acid, filter by suction, and dry to obtain 18.5g of light yellow solid 1, 3-dihydrothiophene [3,2-D] pyrimidine -2, 4-dione with 86.4% yield. |