ChemicalBook--->CAS DataBase List--->206551-41-9

206551-41-9

206551-41-9 Structure

206551-41-9 Structure
IdentificationBack 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 PropertiesBack 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 InformationBack Directory
[Chemical Properties]

off-white powder
[Synthesis]

3-Bromo-4-fluorobenzoic acid

1007-16-5

Iodomethane

74-88-4

3-Bromo-2-fluorobenzoic acid methyl ester

206551-41-9

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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2916399090
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromo-2-fluorobenzoic acid methyl ester(206551-41-9)1HNMR
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