| Identification | Back Directory | [Name]
3-Bromo-2-fluorobenzoic acid methyl ester | [CAS]
206551-41-9 | [Synonyms]
methyl 2-fluoro-3-bromobenzoate
3-Bromo-2-fluorobenzoic acid methyl ester | [Molecular Formula]
C8H6BrFO2 | [MDL Number]
MFCD09261255 | [MOL File]
206551-41-9.mol | [Molecular Weight]
233.04 |
| Chemical Properties | Back Directory | [Melting point ]
35-37℃ | [Boiling point ]
255℃ | [density ]
1.577 | [Fp ]
108℃ | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
Fused Solid | [color ]
White to cream | [InChI]
InChI=1S/C8H6BrFO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3 | [InChIKey]
ZWOFHFOFKBYRHV-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)C1=CC=CC(Br)=C1F | [CAS DataBase Reference]
206551-41-9 |
| Hazard Information | Back Directory | [Chemical Properties]
off-white powder | [Synthesis]
To a 100 mL round-bottom flask was added 3-bromo-4-fluorobenzoic acid (5.00 g, 22.8 mmol, Oakwood), potassium carbonate (3.17 g, 22.9 mmol), and N,N-dimethylformamide (DMF, 30 mL). Subsequently, iodomethane (2 M in methyl tert-butyl ether (MTBE), 11.6 mL, 23.2 mmol) was slowly added and the reaction mixture was stirred at room temperature for 16 hours. After completion of the reaction, the mixture was filtered and the filtrate was concentrated under reduced pressure. The obtained brown crude product was dissolved with ethyl acetate (EtOAc), filtered and concentrated again to finally obtain methyl 3-bromo-2-fluorobenzoate (4.76 g, 20.4 mmol, 89.5% yield) as a brown slurry, which could be used in subsequent steps without further purification. | [References]
[1] Patent: WO2007/61930, 2007, A1. Location in patent: Page/Page column 63 |
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