ChemicalBook--->CAS DataBase List--->57775-06-1

57775-06-1

57775-06-1 Structure

57775-06-1 Structure
IdentificationBack Directory
[Name]

2-(2-Bromophenyl)-2-methylpropanenitrile
[CAS]

57775-06-1
[Synonyms]

2-(2-Bromophenyl)-2-methylpropanenitrile
2-(2-Bromo-phenyl)-2-methyl-propionitrile
Benzeneacetonitrile, 2-bromo-α,α-dimethyl-
[Molecular Formula]

C10H10BrN
[MDL Number]

MFCD11036582
[MOL File]

57775-06-1.mol
[Molecular Weight]

224.1
Chemical PropertiesBack Directory
[Boiling point ]

95-105 °C(Press: 0.03 Torr)
[density ]

1.352±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

Colorless to light yellow Liquid
Spectrum DetailBack Directory
[Spectrum Detail]

2-(2-Bromophenyl)-2-methylpropanenitrile(57775-06-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Bromofluorobenzene

1072-85-1

Isobutyronitrile

78-82-0

2-(2-Bromophenyl)-2-methylpropanenitrile

57775-06-1

The general procedure for the synthesis of 2-(2-bromophenyl)-2-methylpropionitrile from o-bromofluorobenzene and isobutyronitrile was as follows: in a Mettler Toledo MiniBlock reaction tube, 0.01 mol of 1-bromo-2-fluorobenzene and a solution of 2-methylpropionitrile prepared from 14 g of formononitrile in 8.5 mL of THF with 160 mL of THF were added separately. Subsequently, an equimolar amount (0.01 mol) of sodium hexamethyldisilanilide (1 M solution in THF) was added as a base to each reaction tube at ambient temperature. The reaction mixture was heated to 65 °C over 1 h, then cooled to ambient temperature and the reaction was quenched with 6 mL of 5% HCl solution. The organic phase was separated and the solvent was removed by evaporation. The crude product was analyzed by gas chromatography (GC)/mass spectrometry (MS) and proton nuclear magnetic resonance (1H-NMR) to give 2-(2-bromophenyl)-2-methylpropanenitrile (5.2% GC/MS yield) and unreacted haloaromatics (76.8%).

[References]

[1] Patent: US2006/247441, 2006, A1. Location in patent: Page/Page column 17
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