Name | 2-Methoxy-5-sulfamoylbenzoic acid |
Synonyms | 5-sulphamoyl-o-anisic acid 2-methoxy-5-sulfamoylbenzoate 2-Methoxy-5-sulfamoybenzoic acid 2-METHOXY-5-SULFONYLBENZOIC ACID 2-Methoxy-5-sulfamoylbenzoic acid 2-Methoxy-5-Sufamoyl Benzoic Acid 2-METHOXY-5-SULFAMOYLBENZOIC ACID 2-METHOXY-5-SULPHAMOYLBENZOIC ACID 5-Aminosulfonyl-2-Methoxybenzoic Acid 3-CARBOXY-4-METHOXY-BENZENE SULFONAMIDE 5-(Aminosulphonyl)-2-methoxybenzoic acid |
CAS | 22117-85-7 |
EINECS | 244-789-1 |
InChI | InChI=1/C8H9NO5S/c1-14-7-3-2-5(15(9,12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)(H2,9,12,13)/p-1 |
Molecular Formula | C8H9NO5S |
Molar Mass | 231.23 |
Density | 1.492±0.06 g/cm3(Predicted) |
Melting Point | 220 °C |
Boling Point | 482.5±55.0 °C(Predicted) |
Flash Point | 245.6°C |
Solubility | DMSO (Slightly), Methanol (Slightly) |
Vapor Presure | 4.04E-10mmHg at 25°C |
Appearance | Solid |
Color | White to Off-White |
pKa | 3.56±0.10(Predicted) |
Storage Condition | Room Temperature |
MDL | MFCD00129997 |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36/37/38 - 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
Hazard Note | Irritant |
Application | 5-aminosulfonyl-2-methoxybenzoic acid is also called 2-methoxy-5-aminosulfonylbenzoic acid, It is an intermediate of sulpiride. Sulpiride is an antipsychotic. |
preparation | preparation of 2-methoxy-5-aminosulfonyl benzoic acid (ammonia for short) is as follows: raw material ratio: benzoyl 1Kg,25% ammonia 1.7Kg. Ammoniation reaction, the process is as follows: I) the proportion of 25% ammonia into the ammoniation kettle. II) Open the cooling water inlet and valve, slowly add benzoyl under stirring, and control the temperature below 20 ℃. After adding, cover the feeding port to prevent ammonia from overflowing. III) Close the inlet and outlet cooling water valves, slowly open the inlet and outlet steam valves, keep the temperature in the kettle at 70-75 ℃ for about 1.5 hours, the reaction is over, the blowing method is used to catch ammonia, and the ammonia gas is recovered and applied by the spray tower. At the end of ammonia drive, turn off the steam inlet and valve, and open the cooling water inlet and valve to reduce the reaction temperature to 30±2 ℃. IV) Turn on the vacuum pump, inhale hydrochloric acid, then add hydrochloric acid to the reaction solution to adjust the pH value to 1.0-1.5, and control the acid addition speed. The temperature should not exceed 50 ℃. At the end of acid precipitation, raise the temperature to 98±2 ℃, keep the temperature for 15 minutes, continue stirring to reduce the temperature of the reaction liquid to normal temperature, then stop stirring, close and return the cooling water valve, and let stand for 2 hours (the inlet and return cooling water valves can be slightly opened, and keep the standing temperature at 25~35 ℃). V) start centrifugation at the end of standing, rinse the filter cake with drinking water to the pH3-4, break the filter cake and place it in an oven, and dry it at 83-87 ℃ for 22 hours to obtain ammoniate. The yield is 65-75%. |
Use | Used as an intermediate for organic synthesis Sulpiride. |