3-Bromo-2-fluorobenzoic acid methyl ester Chemical Properties

Melting point:

35-37℃

Boiling point:

255℃

Density 

1.577

Flash point:

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

Safety Information

HS Code 

2916399090

3-Bromo-2-fluorobenzoic acid methyl ester Usage And Synthesis

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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