3-ETHYNYLANISOLE 96
3-Ethynylanisole
CAS: 768-70-7
Molecular Formula: C9H8O
3-ETHYNYLANISOLE 96 - Names and Identifiers
| Name | 3-Ethynylanisole |
| Synonyms | 3-Ethynyl Anisol 3-Ethynylanisole 3-ETHYNYLANISOLE 96 1-Etynyl-3-Methoxy-Benzene 1-ethynyl-3-methoxybenzene Benzene, 1-ethynyl-3-Methoxy- Benzene, 1-ethynyl-3-methoxy- (9CI) 3-Ethynylanisole,1-Ethynyl-3-methoxybenzene 1-Ethynyl-3-methoxybenzene, 3-Ethynylanisole |
| CAS | 768-70-7 |
| InChI | InChI=1/C9H8O/c1-3-8-5-4-6-9(7-8)10-2/h1,4-7H,2H3 |
3-ETHYNYLANISOLE 96 - Physico-chemical Properties
| Molecular Formula | C9H8O |
| Molar Mass | 132.16 |
| Density | 1.04 g/mL at 25 °C (lit.) |
| Boling Point | 204-210 °C (lit.) |
| Flash Point | 170°F |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 0.377mmHg at 25°C |
| Appearance | clear liquid |
| Color | Colorless to Light orange to Yellow |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.555(lit.) |
| MDL | MFCD00160810 |
3-ETHYNYLANISOLE 96 - Risk and Safety
| Risk Codes | 10 - Flammable |
| Safety Description | S3/9/49 - S15 - Keep away from heat. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S43 - In case of fire use ... (there follows the type of fire-fighting equipment to be used.) |
| UN IDs | UN 3334 |
| WGK Germany | 3 |
| HS Code | 29093090 |
3-ETHYNYLANISOLE 96 - Reference Information
| Application | 3-ethynyl anisole is several ether derivatives, which can be used as pharmaceutical synthesis intermediates. |
| preparation | 3-ethynyl anisole was prepared as follows: 1) to 3-bromoanisole (5ml, 39.5mmol,1 equiv), triethylamine (22ml, 158mmol,4 equiv),CuI(0.75g,4.0mmol,10mol%) added to Pd(PPh3) in toluene (50ml) 2 Cl2 (2.0g, 43.5mmol,5mol%)(trimethylsilyl) acetylene (6ml, 1.1 mmol, eq.). The reaction mixture was stirred at 80 °c for 5 H, then diluted with EA and washed with H2O(3 x 50ml). The organic extracts were dried over MgSO 4 and concentrated under reduced pressure. The crude product was purified by flash chromatography on silica gel using n-hexane/ethyl acetate (10:1) as eluent to give a colorless oil. 2) to a solution of the compound from step 1) (6g,29.6mmol,1 equiv) in MeOH(40ml) was added K2CO3(2G, 14.8mmol,0.5 equiv). After stirring at room temperature for 4 H, the mixture was diluted with Et2O and washed with H2O(3 x 50ml). The organic extracts were dried over MgSO 4 and concentrated under reduced pressure. The product, 3-ethynyl anisole, was obtained in a pale yellow oil. Yield: 90% G. |
Last Update：2024-04-09 02:00:11
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