ChemicalBook--->CAS DataBase List--->1171381-49-9

1171381-49-9

1171381-49-9 Structure

1171381-49-9 Structure
IdentificationBack Directory
[Name]

(4-Bromo-2-methylphenyl)methanamine hydrochloride
[CAS]

1171381-49-9
[Synonyms]

4-BroMo-2-Methyl benzylaMine HCl
(4-Bromo-2-methylphenyl)methanamine hydrochloride
[Molecular Formula]

C8H11BrClN
[MDL Number]

MFCD11045167
[MOL File]

1171381-49-9.mol
[Molecular Weight]

236.537
Chemical PropertiesBack Directory
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

White to off-white Solid
Safety DataBack Directory
[HS Code ]

2921490090
Spectrum DetailBack Directory
[Spectrum Detail]

(4-Bromo-2-methylphenyl)methanamine hydrochloride(1171381-49-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-Bromo-2-methylbenzonitrile

67832-11-5

(4-Bromo-2-methylphenyl)methanamine hydrochloride

1171381-49-9

The general procedure for the synthesis of (4-bromo-2-methylphenyl)methanamine hydrochloride from 4-bromo-2-methylbenzonitrile was as follows: to a solution of 4-bromo-2-methylbenzenecarbonitrile (3 g, 15 mmol) in tetrahydrofuran (THF, 20 mL) was slowly added borane-tetrahydrofuran complex (BH3-THF, 45 mL, 45 mmol). The reaction mixture was stirred at 0 °C for 1 h. The temperature was gradually increased to 80 °C and the reaction was maintained for 16 hours. After completion of the reaction, the reaction was quenched with methanol (MeOH). After concentration under reduced pressure to remove the solvent, the residue was treated with saturated hydrogen chloride/ethyl acetate (HCl/EtOAc) solution with stirring and subsequently filtered. The resulting solid was washed with ether (20 mL x 3) and finally dried under vacuum to afford the target product (4-bromo-2-methylphenyl)methylamine hydrochloride (3.2 g, yield: 90%) as a white solid. Electrospray ionization mass spectrometry (ESI-MS) showed molecular ion peak (M + H)+: 200.1.

[References]

[1] Patent: WO2016/201280, 2016, A1. Location in patent: Paragraph 0655; 0656
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