4-BROMO-2-FLUOROBENZYLAMINE Chemical Properties

Boiling point:

244.5±25.0 °C(Predicted)

Density 

1.571±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

pka

8.43±0.10(Predicted)

form 

Liquid

Specific Gravity

1.58

color 

Clear colorless to slightly yellow

InChI

InChI=1S/C7H7BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2

InChIKey

RLTFBWCBGIZCDQ-UHFFFAOYSA-N

SMILES

C1(CN)=CC=C(Br)C=C1F

CAS DataBase Reference

112734-22-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

C,Xi

Risk Statements 

34-21/22-36

Safety Statements 

45-36/37/39-26

RIDADR 

2735

Hazard Note 

Irritant

HazardClass 

8

PackingGroup 

Ⅲ

HS Code 

29214900

MSDS

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4-BROMO-2-FLUOROBENZYLAMINE Usage And Synthesis

Chemical Properties

Clear colorless to slightly yellow liquid

Synthesis

General procedure for the synthesis of (4-bromo-2-fluorophenyl)methanamine from 4-bromo-2-fluorobenzonitrile: 4-bromo-2-fluorobenzonitrile (5.00 mmol) was dissolved in tetrahydrofuran (THF, 30 mL) and the solution was cooled to 0°C. A solution of borane tetrahydrofuran complex (1 M solution of THF, 15.0 mL) was added slowly and dropwise with stirring. The reaction mixture was continued to be stirred at 0 °C for 20 min, followed by warming to room temperature and stirring for 16 hours. Upon completion of the reaction, methanol (MeOH, 30 mL) was added slowly and dropwise to quench the reaction, followed by concentration of the solution under reduced pressure. The residue was extracted by partitioning with 1 M aqueous sodium hydroxide (NaOH) and ethyl acetate (EtOAc). The organic layer was separated and post-processed to give (4-bromo-2-fluorophenyl)methylamine (5.00 mmol) as a yellow oil.1H NMR (400 MHz, CDCl3) data: δ 7.42-7.27 (m, 1H), 7.25-7.16 (m, 2H), 3.65 (t, J = 6.6 Hz, 2H).

References

[1] Journal of Organic Chemistry, 2008, vol. 73, # 5, p. 1898 - 1905
[2] Journal of Organic Chemistry, 2009, vol. 74, # 5, p. 1964 - 1970
[3] Patent: WO2017/103611, 2017, A1. Location in patent: Paragraph 00336
[4] Patent: WO2018/75871, 2018, A1. Location in patent: Page/Page column 62

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