2-FLUORO-6-(TRIFLUOROMETHYL)BENZYLAMINE Chemical Properties

Boiling point:

173.2±35.0 °C(Predicted)

Density 

1.312±0.06 g/cm3(Predicted)

refractive index 

1.4925

storage temp. 

Keep in dark place,Inert atmosphere,2-8°C

form 

liquid

pka

7.84±0.10(Predicted)

color 

Clear, colourless

Sensitive 

Air Sensitive

InChI

InChI=1S/C8H7F4N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H,4,13H2

InChIKey

FCYVKQRWNQRCFE-UHFFFAOYSA-N

SMILES

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

Safety Information

Hazard Codes 

C

Risk Statements 

36/37/38

Safety Statements 

26-36

Hazard Note 

Corrosive/Store under nitrogen

HazardClass 

8

HS Code 

2921490090

2-FLUORO-6-(TRIFLUOROMETHYL)BENZYLAMINE Usage And Synthesis

Chemical Properties

Colorless to pale yellow liquid

Uses

(2-Fluoro-6-(trifluoromethyl)phenyl)methanamine Hydrochloride is used in preparation method and application of Elagolix intermediate and its salts.

Synthesis

In a 5L three-neck flask, Intermediate B (207.0 g, 1.0 mol) was added. Ethanol (500 mL), water (200 mL) and concentrated hydrochloric acid (400 mL) were added sequentially to the reaction system and stirred for 0.5 h. The reaction mixture was cooled to 0-5 °C. Zinc powder (390 g, 6.0 mol) was slowly added while maintaining the temperature at 0-5 °C, and the rate of addition was controlled to ensure that the reaction temperature did not exceed 5 °C. After the addition of zinc powder, the reaction system was warmed up to 80-85 °C and the reaction was maintained at this temperature for 1 hour. Upon completion of the reaction, the mixture was cooled to room temperature, filtered and the filter cake was washed with ethanol (300 mL). The filtrates were combined and concentrated under reduced pressure until a significant amount of solid precipitated. The solid was collected by filtration and dried to give the target product 2-fluoro-6-(trifluoromethyl)benzylamine (169.5 g, 87.8% yield).

References

[1] Patent: CN107935863, 2018, A. Location in patent: Paragraph 0048-0051; 0055-0056; 0064-0065

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