| Identification | Back Directory | [Name]
Ethanone, 2-bromo-1-(2-fluoro-4-hydroxyphenyl)- | [CAS]
220131-30-6 | [Synonyms]
Ethanone, 2-bromo-1-(2-fluoro-4-hydroxyphenyl)-
2-bromo-1-(2-fluoro-4-hydroxyphenyl)-1-ethanone
Carbamicacid,N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]-,1,5-dimethylethylester | [Molecular Formula]
C8H6BrFO2 | [MDL Number]
MFCD09745890 | [MOL File]
220131-30-6.mol | [Molecular Weight]
233.03 |
| Chemical Properties | Back Directory | [Boiling point ]
343.5±27.0 °C(Predicted) | [density ]
1.703±0.06 g/cm3(Predicted) | [pka]
6.73±0.20(Predicted) | [InChI]
InChI=1S/C8H6BrFO2/c9-4-8(12)6-2-1-5(11)3-7(6)10/h1-3,11H,4H2 | [InChIKey]
WLXXRLYAYQQESZ-UHFFFAOYSA-N | [SMILES]
C(=O)(C1=CC=C(O)C=C1F)CBr |
| Hazard Information | Back Directory | [Chemical Properties]
violet solid | [Uses]
2-Bromo-1-(2-fluoro-4-hydroxyphenyl)ethanone is a fine chemical intermediate. The functional groups in its molecular structure—such as halogen atoms (bromine and fluorine), hydroxyl groups and ketone groups—are key to the substance's high reactivity. It can be used in the preparation of pyrazolo[3,4-b]pyridine derivatives for use as anticancer agents. | [Preparation]
To a solution of 5 g (32.44 mmol) of 1-(2-fluoro-4-hydroxyphenyl)ethanone dissolved in 140 ml of anhydrous dioxane are added dropwise 5.7 g (35.68 mmol, 1.83 ml) of dibromine at 0° C. under argon. The reaction mixture is brought to 70° C. for 3 h. The solvent is concentrated by vacuum evaporation and the solid is recrystallized in 40 ml of 1,2-dichloroethane to yield 5.67 g (75%) of 2-bromo-1-(2-fluoro-4-hydroxyphenyl)ethanone in the form of a violet solid. |
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