Molecular Formula | C7H9ClN2O |
Molar Mass | 172.61 |
Density | 1.27±0.1 g/cm3(Predicted) |
Melting Point | 52-53 °C |
Boling Point | 363.1±37.0 °C(Predicted) |
Flash Point | 173.427°C |
Solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
Vapor Presure | 0mmHg at 25°C |
Appearance | Solid |
Color | Pale Yellow to Light Brown |
pKa | -4.65±0.40(Predicted) |
Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
Stability | Hygroscopic |
Refractive Index | 1.519 |
Use | (2S)-N-chloroacetyl-2-cyanotetrahydropyrrole is a dipeptidyl peptidase IV inhibitor Vergliptin (V305000) key intermediate. Vidagliptin intermediate |
Application | (2S)-N-chloroacetyl -2-cyanotetrahydropyrrole is an intermediate for the synthesis of vilagliptin, mainly used for the synthesis of vilagliptin For example, L-proline amide is used as raw material, THF is used as solvent, and K2CO3 is used as acid binding agent to carry out chloroacetylation reaction, (S)-1-(2-chloroacetyl)-2-pyridinecanamide is obtained, and then it undergoes dehydration cyanidation reaction with TFAA to convert the amide group into nitrile to obtain the intermediate (2S)-N-chloroacetyl -2-cyanotetrahydropyrrole. Finally, DCM is used as solvent and K2CO3 is used as acid binding agent to carry out condensation reaction with 3-amino -1-adamantanol, and then column chromatography purification is adopted, vergliptin was prepared. The by-product yield of this route method is low, and the reaction route is as follows: |