alpha-toluimidicacid
2-phenylacetamide
CAS: 103-81-1
Molecular Formula: C8H9NO
alpha-toluimidicacid - Names and Identifiers
| Name | 2-phenylacetamide |
| Synonyms | PHENYLACETAMIDE ALPHA-TOLUAMIDE Phenylacetamide Benzeneacetamide 2-phenylacetamide 2-PHENYLACETAMIDE 2-phenyl-acetamid Acetamide, 2-phenyl- alpha-toluimidicacid ALPHA-PHENYLACETAMIDE |
| CAS | 103-81-1 |
| EINECS | 203-147-0 |
| InChI | InChI=1/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10) |
| InChIKey | LSBDFXRDZJMBSC-UHFFFAOYSA-N |
alpha-toluimidicacid - Physico-chemical Properties
| Molecular Formula | C8H9NO |
| Molar Mass | 135.16 |
| Density | 1.1031 (rough estimate) |
| Melting Point | 156 °C |
| Boling Point | 280-290 °C (dec.) |
| Flash Point | 142.6°C |
| Solubility | Soluble in methanol. |
| Vapor Presure | 0.000537mmHg at 25°C |
| Appearance | Solid |
| Color | Plates or leaflets |
| Merck | 14,7266 |
| pKa | 16.21±0.40(Predicted) |
| Storage Condition | Refrigerator |
| Refractive Index | 1.5589 (estimate) |
| MDL | MFCD00059193 |
| Physical and Chemical Properties | Character: white patchy crystal. melting point 157 ℃ boiling point 280~290 ℃ (decomposition) solubility: soluble in hot water, ethanol, slightly soluble in cold water, ether and benzene. |
| Use | It is used as an intermediate for drugs such as penicillin G and phenobarbital, and also used in organic synthesis |
alpha-toluimidicacid - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R22 - Harmful if swallowed R36 - Irritating to the eyes |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S60 - This material and its container must be disposed of as hazardous waste. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| RTECS | AC7705000 |
| TSCA | Yes |
| HS Code | 29242990 |
| Hazard Class | IRRITANT |
| Toxicity | LD50 ipr-mus: 430 mg/kg PCJOAU 10,579,76 |
alpha-toluimidicacid - Upstream Downstream Industry
| Downstream Products | phenobarbital |
alpha-toluimidicacid - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Biological activity | 2-Phenylacetamide is an endogenous metabolite. |
| use | used as an intermediate for penicillin g, phenobarbital and other drugs, and also used in organic synthesis the product is used as an intermediate for medicine, pesticide and perfume. In the pharmaceutical industry, it is the medium of penicillin G and the raw material of the sedative drug phenobarbital. |
| production method | styrene, sulfur, liquid ammonia and water are put into an autoclave, reacted at 165 ℃ and a pressure of about 6.5MPa, then heated and evaporated to remove hydrogen sulfide gas, and activated carbon is added to decolorize, cool, crystallize, filter and dry to obtain phenylacetamide. This method can be improved to pipeline continuous production. Styrene and ammonium polysulfide liquid are mixed according to the volume ratio of 1:2, and the reaction temperature is 200 ℃, the reaction pressure is 6-7.8MPa, and the reaction time is 1.5h. The post-treatment process of the reaction product is similar to that of the autoclave batch method. Raw material consumption quota: styrene (99%)1117 kg/t, sulfur (98.5%)716 kg/t, liquid ammonia (99%)539 kg/t, activated carbon 47 kg/t. Another production method is to hydrolyze phenylacetonitrile (obtained by reacting benzyl chloride and sodium cyanide in dimethylamine aqueous solution) in sulfuric acid or hydrochloric acid. Add phenylacetonitrile to concentrated hydrochloric acid, stir and dissolve, and react at 50 ℃ for half an hour. Then slowly add water to precipitate crystals under cooling, filter after cooling, and wash with ice water to obtain crude products. The crude product is washed with sodium carbonate solution, and then washed with ice water. After drying, a purer phenylacetamide can be obtained. Raw material consumption quota: benzyl chloride (95%)1190 kg/t, sodium cyanide (95%)527 kg/t, dimethylamine (industrial product) 20 kg/t, sodium carbonate (industrial product) 185 kg/t, sulfuric acid (92.5%)1760 kg/t. |
Last Update：2024-04-09 21:11:58
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