ChemicalBook--->CAS DataBase List--->99725-13-0

99725-13-0

99725-13-0 Structure

99725-13-0 Structure
IdentificationMore
[Name]

5-Bromo-2-fluorobenzylamine hydrochloride
[CAS]

99725-13-0
[Synonyms]

5-BROMO-2-FLUOROBENZYL ALCOHOL
(5-BROMO-2-FLUOROPHENYL)METHANOL
RARECHEM AL BD 0325
5-Bromo-2-fluorobenzylamine hydrochloride
[Molecular Formula]

C7H8BrClFN
[MDL Number]

MFCD00143425
[Molecular Weight]

240.5
[MOL File]

99725-13-0.mol
Chemical PropertiesBack Directory
[Melting point ]

221-226 °C(lit.)
[Boiling point ]

82-87°/0.4mm
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

White to off-white Solid
[CAS DataBase Reference]

99725-13-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

2906290090
Hazard InformationBack Directory
[Uses]

5-Bromo-2-fluorobenzylamine hydrochloride is mainly used as an intermediate in organic synthesis, especially in the fields of medicine and materials science.
[Synthesis]

5-Bromo-2-fluorobenzaldehyde

93777-26-5

5-Bromo-2-fluorobenzylamine hydrochloride

99725-13-0

The general procedure for the synthesis of 5-bromo-2-fluorobenzyl alcohol from 5-bromo-2-fluorobenzaldehyde was as follows: sodium borohydride (8.39 g, 222 mmol) was slowly added to an ethanol (EtOH) solution of 5-bromo-2-fluorobenzaldehyde (30.0 g, 148 mmol) at 0 °C. The reaction mixture was stirred at 0 °C, followed by a gradual warming to room temperature over 15 h. The reaction was carried out at 0 °C. The reaction was carried out at 0 °C. The reaction was carried out at 0 °C. Upon completion of the reaction, the mixture was again cooled to 0 °C and the reaction was quenched with saturated aqueous ammonium chloride (NH4Cl) solution. The reaction mixture was extracted with ethyl acetate (EtOAc) and the organic layer was separated. The organic layer was subsequently washed with brine, dried over anhydrous magnesium sulfate (MgSO4), filtered and concentrated under reduced pressure to afford 5-bromo-2-fluorobenzyl alcohol (30.3 g, quantitative yield) as a white solid, which can be used in subsequent reactions without further purification. [M-OH]+ 187.

[References]

[1] Patent: WO2011/159067, 2011, A2. Location in patent: Page/Page column 51
[2] Journal of Medicinal Chemistry, 1999, vol. 42, # 18, p. 3572 - 3587
[3] Patent: US6034093, 2000, A
[4] Patent: US5731315, 1998, A
[5] Patent: WO2004/814, 2003, A1. Location in patent: Page 49
Spectrum DetailBack Directory
[Spectrum Detail]

5-Bromo-2-fluorobenzylamine hydrochloride(99725-13-0)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

5-Bromo-2-fluorobenzylamine hydrochloride, 97%(99725-13-0)
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