Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, methyl ester
Methyl benzilate
CAS: 76-89-1
Molecular Formula: C15H14O3
Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, methyl ester - Names and Identifiers
Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, methyl ester - Physico-chemical Properties
| Molecular Formula | C15H14O3 |
| Molar Mass | 242.27 |
| Density | 1.1515 (rough estimate) |
| Melting Point | 73 °C |
| Boling Point | 187 °C |
| Flash Point | 187°C/13mm |
| Water Solubility | Soluble in methanol. Insoluble in water. |
| Vapor Presure | 0.000134mmHg at 25°C |
| Merck | 14,1080 |
| BRN | 2121492 |
| pKa | 11.38±0.29(Predicted) |
| Refractive Index | 1.5570 (estimate) |
| Physical and Chemical Properties | Melting Point: 73 - 76 ℃ Boiling Point: 187 at 13mm Hg
|
Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, methyl ester - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 22 - Harmful if swallowed |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
| TSCA | Yes |
| HS Code | 29181990 |
Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, methyl ester - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | for organic synthesis. |
| production method | benzoin is produced by the reaction of benzaldehyde sodium cyanide, and then reacts with potassium bromate to obtain phenylhydroxy acid, finally, it is prepared by esterification with methanol. Benzoin 4L of benzaldehyde and 6L of ethanol are mixed, 60g of sodium cyanide solution in of water solution is added, heated and refluxed for 2H, cooled, filtered, washed with water and dried by filtration to obtain product 4.5. 2. Preparation of diphenylhydroxyacetic acid 8kg of benzoin wet product, 15L of water, 58kg of 16% sodium hydroxide solution and 2kg of potassium bromate were mixed and reacted for 4H with heating and stirring. The reaction mixture was Diluted twice with water, cooled, acidified with dilute sulfuric acid to pH 7-8, and filtered. The filtrate was then acidified to a pH of 1-2 and filtered to give a crude product of about 8kg. 3. Preparation of methyl diphenylhydroxyacetate 4kg of diphenylhydroxy acid was mixed with 5L of methanol, 150ml of sulfuric acid was added, and heated to reflux for 2H. It was poured into 30L of water containing 300g of sodium carbonate, stirred and filtered to give 3kg of crude product. Recrystallization with methanol, decolorizing with activated carbon, drying at 60 ℃ to obtain about 2.8kg of finished product. |
Last Update：2024-04-09 21:04:16
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