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61150-57-0

61150-57-0 Structure

61150-57-0 Structure
IdentificationMore
[Name]

2-Bromo-1-(bromomethyl)-4-fluorobenzene
[CAS]

61150-57-0
[Synonyms]

2-BROMO-1-(BROMOMETHYL)-4-FLUOROBENZENE
2-BROMO-4-FLUOROBENZYL BROMIDE
2-Bromo-4-Fluorobenzyl
[Molecular Formula]

C7H5Br2F
[MDL Number]

MFCD03840524
[Molecular Weight]

267.92
[MOL File]

61150-57-0.mol
Chemical PropertiesBack Directory
[Appearance]

white crystal powde
[Boiling point ]

254.0±25.0 °C(Predicted)
[density ]

1.923±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

Solid
[CAS DataBase Reference]

61150-57-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Warning
[Hazard statements ]

H314-H318
[Precautionary statements ]

P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
[RIDADR ]

3261
[HazardClass ]

8
[PackingGroup ]

Ⅲ
[HS Code ]

2903998090
Hazard InformationBack Directory
[Chemical Properties]

white crystal powde
[Synthesis]

2-Bromo-4-fluorotoluene

1422-53-3

2-Bromo-1-(bromomethyl)-4-fluorobenzene

61150-57-0

General procedure for the synthesis of 2-bromo-4-fluorobenzyl bromide from 2-bromo-4-fluorotoluene: In a round-bottomed flask equipped with a reflux condenser, 2-bromo-4-fluorotoluene (15 g, 79.3 mmol), N-bromosuccinimide (18.08 g, 101.6 mmol) and 2,2'-azobisisobutyronitrile (3.9 g, 23.8 mmol) were dissolved in carbon tetrachloride (150 mL). The reaction mixture was heated to reflux for 21 hours. After completion of the reaction, the mixture was cooled and the solvent was removed by distillation under reduced pressure. The crude product was suspended in dichloromethane and the organic layer was washed with water. Subsequently, the organic layer was washed with saturated aqueous sodium chloride solution and dried with anhydrous sodium sulfate. After filtration, the solvent was removed by distillation under reduced pressure to obtain the crude product. Purification of the crude product by column chromatography (eluent: 1% hexane solution of ethyl acetate tapered to 10% hexane solution of ethyl acetate) afforded 2-bromo-4-fluorobenzyl bromide as an oily white solid (18.5 g, 87% yield).GC-MS analysis showed m/z 268 [M]+.

[References]

[1] Synlett, 2011, # 17, p. 2525 - 2528
[2] Patent: WO2008/144223, 2008, A2. Location in patent: Page/Page column 28
[3] Patent: WO2007/70041, 2007, A1. Location in patent: Page/Page column 126
[4] Journal of Medicinal Chemistry, 2003, vol. 46, # 3, p. 409 - 416
[5] Collection of Czechoslovak Chemical Communications, 1999, vol. 64, # 4, p. 649 - 672
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromo-1-(bromomethyl)-4-fluorobenzene(61150-57-0)1HNMR
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