ChemicalBook--->CAS DataBase List--->27561-51-9

27561-51-9

27561-51-9 Structure

27561-51-9 Structure
IdentificationBack Directory
[Name]

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

27561-51-9
[Synonyms]

-2-methylbenzene
1-Bromo-4-(bromomethyl)
3-Methyl-4-bromobenzylbromide
4-Bromo-3-methylbenzylbromide
1-Bromo-4-(bromomethyl)-2-methylbenzene
Benzene, 1-bromo-4-(bromomethyl)-2-methyl-
[Molecular Formula]

C8H8Br2
[MDL Number]

MFCD09909629
[MOL File]

27561-51-9.mol
[Molecular Weight]

263.96
Chemical PropertiesBack Directory
[Melting point ]

26-27 °C
[Boiling point ]

275.4±25.0 °C(Predicted)
[density ]

1.743±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

fused solid
[color ]

Orange/tan
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H314
[Precautionary statements ]

P310-P260-P280
[HS Code ]

2909309090
Spectrum DetailBack Directory
[Spectrum Detail]

1-Bromo-4-(bromomethyl)-2-methylbenzene(27561-51-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

(4-BROMO-3-METHYLPHENYL)METHANOL

149104-89-2

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

27561-51-9

Procedure for the synthesis of 1-bromo-4-(bromomethyl)-2-toluene: To a solution of 4-bromo-3-methylbenzyl alcohol (27.5 g, 136.8 mmol) in dichloromethane (250 mL) was added triphenylphosphine (39.4 g, 150.5 mmol) and carbon tetrabromide (49.9 g, 150.5 mmol) in sequence. The reaction mixture was stirred at room temperature for 2 hours. After completion of the reaction, water was added to quench the reaction. The organic layer was separated and dried over anhydrous sodium sulfate, followed by concentration under reduced pressure to remove the solvent. The crude product was purified by column chromatography to afford 1-bromo-4-(bromomethyl)-2-toluene (34 g, 94% yield). The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3): δ 7.94-7.92 (d, 1H), 7.70 (s, 1H), 7.53-7.51 (d, 1H), 4.86 (s, 2H), 2.83 (s, 3H).

[References]

[1] Patent: WO2015/42532, 2015, A1. Location in patent: Paragraph 0164
[2] Patent: US2011/82165, 2011, A1. Location in patent: Page/Page column 53
[3] Patent: WO2017/34994, 2017, A1. Location in patent: Page/Page column 38
[4] Macromolecules, 2013, vol. 46, # 21, p. 8500 - 8508
[5] Patent: WO2012/67664, 2012, A1. Location in patent: Page/Page column 45
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