2-Methoxy-5-Aminosulfonyl Benzoic Acid Methyl Ester Methyl 2-Methoxy-5-Aminosulfonyl Benzoate
Methyl 2-Methoxy-5-Sulfamoylbenzoate
CAS: 33045-52-2
Molecular Formula: C9H11NO5S
2-Methoxy-5-Aminosulfonyl Benzoic Acid Methyl Ester Methyl 2-Methoxy-5-Aminosulfonyl Benzoate - Names and Identifiers
| Name | Methyl 2-Methoxy-5-Sulfamoylbenzoate |
| Synonyms | 2-Methoxy-5-sulfamoylbenzoic Methyl 2-Methoxy-5-Sulfamoylbenzoate 2-METHOXY-5-SULFAMIDE METHYL BENZOATE 2-methoxy-5-sulfamoyl methyl benzoate Methyl 5-(aminosulphonyl)-2-methoxybenzoate 2-Methoxy-5-sulfamoylbenzoic acid methyl ester 4-Methoxy-3-(methoxycarbonyl)benzenesulfonamide 5-Aminosulfonyl-2-Methoxy-Benzoic Acid Methyl Ester 2-Methoxy-5-Aminosulfonyl Benzoic Acid Methyl Ester Methyl 2-Methoxy-5-Aminosulfonyl Benzoate |
| CAS | 33045-52-2 |
| EINECS | 251-358-1 |
| InChI | InChI=1/C9H11NO5S/c1-14-8-4-3-6(16(10,12)13)5-7(8)9(11)15-2/h3-5H,1-2H3,(H2,10,12,13) |
2-Methoxy-5-Aminosulfonyl Benzoic Acid Methyl Ester Methyl 2-Methoxy-5-Aminosulfonyl Benzoate - Physico-chemical Properties
| Molecular Formula | C9H11NO5S |
| Molar Mass | 245.25 |
| Density | 1.360±0.06 g/cm3(Predicted) |
| Melting Point | 175-177 °C (lit.) |
| Boling Point | 439.8±55.0 °C(Predicted) |
| Flash Point | 219.8°C |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 6.2E-08mmHg at 25°C |
| Appearance | neat |
| Color | White to Off-White |
| pKa | 9.94±0.60(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.541 |
| MDL | MFCD01317542 |
2-Methoxy-5-Aminosulfonyl Benzoic Acid Methyl Ester Methyl 2-Methoxy-5-Aminosulfonyl Benzoate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| WGK Germany | 3 |
| Hazard Note | Irritant |
2-Methoxy-5-Aminosulfonyl Benzoic Acid Methyl Ester Methyl 2-Methoxy-5-Aminosulfonyl Benzoate - Reference Information
| LogP | 0.36 |
| Overview | 2-methoxy-5-sulfonamide methyl benzoate is an important intermediate of the anti-psychotic drugs sulpiride and levosulpiride. At present, salicylic acid is used in synthesis at home and abroad to obtain the product through methylation, chlorosulfonation, amination, and esterification. The process route is long, and the amount of three wastes produced in each step is large, especially high chemical oxygen demand (COD), high salt, high ammonia nitrogen, mixed wastewater, etc., the treatment is difficult and the treatment cost is extremely high, which seriously restricts the large-scale industrial production of this product. |
| preparation | 300g tetrahydrofuran, 50g(0.25mol)2-methoxy -5-chlorobenzoate, 1.8g cuprous bromide (0.0125mol),25.7g(0.25mol) sodium sulfinate are added to a 1000ml reaction bottle equipped with a reflux device, the temperature is raised to 65 ℃, and the temperature is kept at this temperature for 12 hours, and the heat preservation is finished, 2g of activated carbon was added into the reaction solution by heat filtration, the filtrate was concentrated to dry under reduced pressure, and dried under vacuum at 60 ℃ to obtain 57.9g(0.236mol) of 2-methoxy -5-sulfonamide methyl benzoate white crystal powder with 94.5% yield and 99.51% content (HPLC). Among them, HPLC detection conditions: mobile phase: 700 ml of water; Methanol 200 ml. Detection wavelength: 240nm, flow rate 1.0 ml/min, sample 0.01g, diluted to 25 ml with mobile phase, injection volume 5 μl. |
| Uses | Used as an intermediate of the drug sulpiride An intermediate of sulpiride. |
Last Update：2024-04-09 15:16:49
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