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90562-10-0

90562-10-0 Structure

90562-10-0 Structure
IdentificationBack Directory
[Name]

1-broMo-3-(4-broMophenyl)propane
[CAS]

90562-10-0
[Synonyms]

1-broMo-3-(4-broMophenyl)propane
1-broMo-4-(3-broMopropyl)benzene
Benzene, 1-bromo-4-(3-bromopropyl)-
[Molecular Formula]

C9H10Br2
[MDL Number]

MFCD09744416
[MOL File]

90562-10-0.mol
[Molecular Weight]

277.98
Chemical PropertiesBack Directory
[Boiling point ]

281.5±15.0 °C(Predicted)
[density ]

1.653±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

Colorless to light yellow Liquid
Safety DataBack Directory
[HS Code ]

2903998090
Spectrum DetailBack Directory
[Spectrum Detail]

1-broMo-3-(4-broMophenyl)propane(90562-10-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-(4-BROMO-PHENYL)-PROPAN-1-OL

25574-11-2

1-broMo-3-(4-broMophenyl)propane

90562-10-0

General procedure for the synthesis of 1-bromo-4-(3-bromopropyl)benzene from 4-bromobenzenepropanol: To a solution of 4-bromobenzenepropanol (4.0 g, 19 mmol) in THF (30 mL) was added triphenylphosphine (PPh3, 6.3 g, 24 mmol) and carbon tetrabromide (CBr4, 8.0 g, 24 mmol) in turn at 0 °C and under argon protection. The reaction mixture was stirred at 0 °C for 15 min, then raised to room temperature and continued stirring for 15 h. The reaction was carried out under reduced pressure by distillation. After completion of the reaction, the solvent was removed by distillation under reduced pressure, and the resulting crude product was purified by silica gel column chromatography (eluent: hexane) to afford 1-bromo-4-(3-bromopropyl)benzene as a colorless oil (3.5 g, 66% yield).The 1H NMR (500 MHz, DMSO-d6) data were as follows: δ 2.03-2.12 (m, 2H), 2.68 (t, J=7.5 Hz. 2H), 3.49 (t, J=6.5 Hz, 2H), 7.19 (d, J=8.3 Hz, 2H), 7.47 (d, J=8.3 Hz, 2H).

[References]

[1] Journal of Medicinal Chemistry, 2008, vol. 51, # 6, p. 1546 - 1559
[2] Patent: WO2006/101977, 2006, A2. Location in patent: Page/Page column 114
[3] Patent: WO2008/8234, 2008, A1. Location in patent: Page/Page column 110
[4] Organic Letters, 2010, vol. 12, # 24, p. 5783 - 5785
[5] Tetrahedron, 1990, vol. 46, # 20, p. 7247 - 7262
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