Benzene, 1-bromo-4-(1,1-difluoroethyl)- Chemical Properties

Boiling point:

219.0±30.0 °C(Predicted)

Density 

1.495 g/mL at 25 °C

refractive index 

n20/D1.503

Flash point:

82℃

storage temp. 

Sealed in dry,Room Temperature

form 

Powder or Crystalline Powder

color 

Brown

InChI

InChI=1S/C8H7BrF2/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5H,1H3

InChIKey

QXIBKCFAFRHORF-UHFFFAOYSA-N

SMILES

C1(Br)=CC=C(C(F)(F)C)C=C1

Safety Information

RIDADR 

UN 2810 6.1 / PGIII

WGK Germany 

3

HazardClass 

6.1

HS Code 

29036990

Benzene, 1-bromo-4-(1,1-difluoroethyl)- Usage And Synthesis

Synthesis

Example 63A Synthesis of 1-bromo-4-(1,1-difluoroethyl)benzene: Under argon protection, 3.0 g (15.07 mmol) of 1-(4-bromophenyl)ethanone was dissolved in 30 mL of dichloromethane, followed by the slow addition of 15.9 mL (120.57 mmol) of [ethyl (trifluoro-lambda4-thioalkyl)amino]ethane (DAST). The reaction mixture was slowly warmed to 50 °C and stirred at this temperature overnight. Upon completion of the reaction, the reaction mixture was slowly poured into ice water. The organic phase was separated and the aqueous phase was extracted three times with dichloromethane. The organic phases were combined and dried with magnesium sulfate. After filtration, the solvent was removed by concentration under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: petroleum ether/dichloromethane=4:1) to afford 2.56 g (11.58 mmol, 77% yield) of 1-bromo-4-(1,1-difluoroethyl)benzene as a pale yellow liquid. gC-MS (Method 1): rt = 2.84 min; m/z = 220/222 (M)+.

References

[1] Patent: US2012/172448, 2012, A1. Location in patent: Page/Page column 34
[2] Patent: US2010/305111, 2010, A1. Location in patent: Page/Page column 26
[3] Patent: US2011/21489, 2011, A1. Location in patent: Page/Page column 34-35
[4] Patent: EP2921489, 2015, A1. Location in patent: Paragraph 0110; 0111
[5] Patent: WO2015/160665, 2015, A1. Location in patent: Paragraph 00211

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