Molecular Formula | C8H5N3 |
Molar Mass | 143.15 |
Density | 1.33±0.1 g/cm3(Predicted) |
Melting Point | 225.1-225.2°C |
Appearance | White to Brown Solid |
pKa | 12.50±0.40(Predicted) |
Storage Condition | Sealed in dry,Room Temperature |
MDL | MFCD06659684 |
Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. |
WGK Germany | 3 |
HS Code | 29339900 |
Hazard Class | IRRITANT |
application | 5-cyano -7-azaindole is a commonly used intermediate in the synthesis of new anti-tumor drugs-protease inhibitors, which is mainly used in laboratory research and development and chemical production. |
prepare | 500L reaction kettle, add 5-bromine -7-azafindole 40Kg,N-methylpyrrolidone (NMP)200Kg and cuprous cyanide 20Kg in sequence, slowly raise the system to 180 ℃ for reaction under nitrogen atmosphere, keep the temperature for 15h, and monitor by HPLC, control the raw material <0.5%, stop the reaction, and cool the reaction liquid to ~ 40 ℃. Transfer the reaction solution to a 3000L reactor, add 1600Kg of ethyl acetate to dilute, and wash with 5% ammonia water until the water is colorless. Saturated salt water is washed, anhydrous sodium sulfate is dried, filtered, and concentrated to obtain a crude 5-cyano-7-azaindole. 400Kg of ethyl acetate and 4Kg of activated carbon were added to the crude 5-cyano -7-azaindole. After reflux for 0.5 hours, the filter was pressed while hot, 100Kg of hot ethyl acetate was washed, the combined filtrate was concentrated to about 200L, solid was cooled and precipitated, and 23Kg of filtered product was the target product 5-cyano -7-azaindole, with a yield of 79.3% and a purity of 99.8%. |