1-(2-Fluoro-3-hydroxy-6-nitrophenyl)propan-2-one
1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one
CAS: 649736-31-2
Molecular Formula: C9H8FNO4
1-(2-Fluoro-3-hydroxy-6-nitrophenyl)propan-2-one - Names and Identifiers
1-(2-Fluoro-3-hydroxy-6-nitrophenyl)propan-2-one - Physico-chemical Properties
| Molecular Formula | C9H8FNO4 |
| Molar Mass | 213.16 |
| Density | 1.417±0.06 g/cm3(Predicted) |
| Boling Point | 353.0±42.0 °C(Predicted) |
| Appearance | Solid |
| pKa | 5.58±0.24(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
1-(2-Fluoro-3-hydroxy-6-nitrophenyl)propan-2-one - Reference Information
| preparation method | the preparation of 1-(2-fluoro-3-hydroxy-6-nitrophenyl) prop-2-one is as follows: step 1):1-(2, 3-difluoro-6-nitrophenyl) prop-2-one (compound 302) ethyl acetoacetate (29.4g,226mmol) was added to THF(100mL) suspension of sodium hydride (5.42g,226mmol) while keeping the reaction temperature below 15 ℃. Stir the mixture for 15 minutes. After the addition is completed, a THF(150mL) solution of compound 301(20.0g,113mmol) is added to the mixture while keeping the reaction temperature below 50 ℃. The mixture was then stirred at room temperature for 24 hours. The solvent was removed by vacuum, and the residue was divided between ethyl acetate and aqueous 2N hydrochloric acid. The organic layer was washed with water and brine, and dried and concentrated with MgSO4. Then concentrated hydrochloric acid (400mL) and acetic acid (300mL) were added to the residue, and the mixture was refluxed for another 12 hours. After cooling, the mixture is concentrated and the residue is divided between 5% sodium bicarbonate and ethyl acetate. The organic layer was washed with water, brine, dried by MgSO4 and concentrated. The residue was purified by silica gel column chromatography (EtOAc/petroleum ether = 1/2) to obtain compound 302(14.5g,60%), which is brown oil: LCMS:216[M 1]. |
| Application | 1-(2-fluoro-3-hydroxy-6-nitrophenyl) prop-2-one can be used as an intermediate in pharmaceutical synthesis. |
Last Update：2024-04-09 02:00:07
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