1H-Pyrrole-2-carboxylic acid,Methyl ester
Methyl 1H-pyrrole-2-carboxylate
CAS: 1193-62-0
Molecular Formula: C6H7NO2
1H-Pyrrole-2-carboxylic acid,Methyl ester - Names and Identifiers
| Name | Methyl 1H-pyrrole-2-carboxylate |
| Synonyms | RARECHEM AL BF 0174 2 - pyrrole Methyl forMate METHYL 2-PYRROLECARBOXYLATE Methyl 2-pyrrolecarboxylate Methyl pyrrole-2-carboxylate Methyl 1H-pyrrol-2-carboxylate Methyl 1H-pyrrole-2-carboxylate METHYL 1H-PYRROLE-2-CARBOXYLATE Pyrrole-2-carboxylic Acid Methyl Ester 1H-Pyrrole-2-carboxylic acid,methyl ester 1H-Pyrrole-2-carboxylic acid,Methyl ester |
| CAS | 1193-62-0 |
| EINECS | 629-314-1 |
| InChI | InChI=1/C6H7NO2/c1-9-6(8)5-3-2-4-7-5/h2-4,7H,1H3 |
| InChIKey | VONGYFFEWFJHNP-UHFFFAOYSA-N |
1H-Pyrrole-2-carboxylic acid,Methyl ester - Physico-chemical Properties
| Molecular Formula | C6H7NO2 |
| Molar Mass | 125.13 |
| Density | 1.184±0.06 g/cm3(Predicted) |
| Melting Point | 74-78°C(lit.) |
| Boling Point | 104-105 °C(Press: 9 Torr) |
| Flash Point | 93.1°C |
| Water Solubility | Soluble in water. |
| Solubility | Chloroform (Slightly), DMSO (Slightly) |
| Vapor Presure | 0.0665mmHg at 25°C |
| Appearance | Solid |
| Color | Light Beige |
| pKa | 15.16±0.50(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.526 |
| MDL | MFCD00817048 |
| Physical and Chemical Properties | WGK Germany:3 |
1H-Pyrrole-2-carboxylic acid,Methyl ester - Risk and Safety
| 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 - Wear suitable protective clothing and gloves. |
| WGK Germany | 3 |
| HS Code | 29339900 |
| Hazard Class | IRRITANT |
1H-Pyrrole-2-carboxylic acid,Methyl ester - Reference Information
| Uses | 2-pyrroliformate methyl ester compounds are widely used in biology, medicine, chemical industry and other fields, and can be obtained by the reaction of pyrrole and dimethyl carbonate. There are reports that it can be used to prepare the anti-breast cancer drug apelis. |
| preparation | a certain amount of carrier (ZnO in this example) is added to the aqueous solution of K2CO3 and impregnated for 12 hours, then baked at 110 ℃ for 12 hours. Then calcined at 600 ℃ for 3 hours and cooled naturally to obtain 17wt%K/ZnO supported catalyst. In a 150ml high-pressure reaction kettle, 6.7g pyrrole, 18.2g dimethyl carbonate and 0.5g of prepared catalyst 17wt%K/ZnO are sequentially added, the reaction kettle is sealed, the temperature controller controls the heating to slowly rise to 250 ℃, and a magnetic stirrer is used for full stirring, the reaction is carried out for 3 hours, the reaction is immediately cooled with tap water after cooling, the kettle is unloaded, and the obtained liquid sample is analyzed by Shimadzu capillary chromatography, the yield of methyl 2-pyrroliformate was 37.7% and the selectivity was 717%. |
Last Update：2024-04-09 21:11:58
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