3-ACETYLPYRROLE
3-ACETYLPYRROLE
CAS: 1072-82-8
Molecular Formula: C6H7NO
3-ACETYLPYRROLE - Names and Identifiers
| Name | 3-ACETYLPYRROLE |
| Synonyms | 3-ACETYLPYRROLE 3-Acetyl-1H-pyrrole Methyl3-pyrrolylketone 1-(1H-PYRROL-3-YL)-ETHANONE Ethanone, 1-(1H-pyrrol-3-yl)- 1-(1H-PYRROL-3-YL)ETHAN-1-ONE |
| CAS | 1072-82-8 |
| EINECS | 000-000-0 |
| InChI | InChI=1/C6H7NO/c1-5(8)6-2-3-7-4-6/h2-4,7H,1H3 |
3-ACETYLPYRROLE - Physico-chemical Properties
| Molecular Formula | C6H7NO |
| Molar Mass | 109.13 |
| Density | 1.099±0.06 g/cm3(Predicted) |
| Melting Point | 115-117°C |
| Boling Point | 220 C |
| Flash Point | 99.766°C |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.06mmHg at 25°C |
| Appearance | Solid |
| Color | Light Brown |
| BRN | 107151 |
| pKa | 15.37±0.50(Predicted) |
| Storage Condition | 2-8°C |
| Stability | Light Sensitive |
| Refractive Index | 1.531 |
| MDL | MFCD00067759 |
3-ACETYLPYRROLE - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R36 - Irritating to the eyes R22 - Harmful if swallowed |
| 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. S36 - Wear suitable protective clothing. |
| Hazard Note | Irritant |
3-ACETYLPYRROLE - Reference
| Reference Show more | 1. [IF=4.759] Rui Mao et al."An efficient and sensitive method on the identification of unsaturated fatty acids in biosamples: Total lipid extract from bovine liver as a case study."JOURNAL OF CHROMATOGRAPHY A. 2022 Jul;1675:463176 |
3-ACETYLPYRROLE - Reference Information
| Uses | 3-acetylpyrrole is an organic intermediate, and it has been reported in the literature that it can be used to prepare IL-1 inhibitors and TRPA1 regulators. |
| Preparation | 3-acetylpyrrole can be prepared from pyrrole. Pyrrole (10.0g) was added to a fully stirred suspension of NaOH (17.9g, 447.3 mmol) in 10 mL of dichloromethane. The reaction mixture was cooled to 0°C. Stir the reaction mixture for 10 minutes. A solution of benzenesulfonyl chloride (31.6g) in 2 mL of dichloroethane was added dropwise to the reaction mixture. When the addition is complete, let the reaction mixture reach room temperature. Let the reaction mixture be stirred overnight. Pour 60 mL H2O to quench the reaction. Separation of organic layers. The water layer was extracted with dichloromethane (3 × 60 mL). Wash the combined organic extract with water to neutral. The combined organic extracts were dried with Na2SO4. Remove the solvent. The residue was purified by recrystallization to obtain 3-acetylpyrrole. |
Last Update：2024-04-09 20:52:54
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