3-(TRIFLUOROMETHYL)BENZAMIDE Chemical Properties

Melting point:

124-127 °C (lit.)

Boiling point:

241.3±40.0℃ (760 Torr)

Density 

1.335±0.06 g/cm3 (20 ºC 760 Torr)

Flash point:

99.7±27.3℃

storage temp. 

Sealed in dry,Room Temperature

pka

15.31±0.50(Predicted)

Appearance

White to off-white Solid

BRN 

1955599

CAS DataBase Reference

1801-10-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

2924297099

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

3-(TRIFLUOROMETHYL)BENZAMIDE Usage And Synthesis

Chemical Properties

White to light yellow crystal powde

General Description

3-(Trifluoromethyl)benzamide can be prepared from 1-bromo-3-trifluoromethylbenzene via palladium-catalyzed aminocarbonylation with formamide. It forms the core moiety of N-[(substituted 1H-imidazol-1-yl)propyl]benzamides, with potential as antihypertensive agents.

Synthesis

GENERAL STEPS: To a flame-dried, resealable 2-5 mL Pyrex reaction vessel were added the solid reactants: m-trifluoromethylbenzonitrile (1.0 mmol) and Cs2CO3 (1.5 mmol). The reaction vessel was sealed with a rubber septum and pyrrolidone (2 mL/mmol [0.5 M]) was injected through the septum. Subsequently, the rubber septum was replaced with a PTFE screw cap. The sealed reaction vessel was heated in an oil bath at 130°C for 2 hours. Upon completion of the reaction, the resulting suspension was cooled to room temperature, filtered through a diatomaceous earth pad and eluted with a solvent mixture of CH2Cl2/MeOH (7:3) to remove inorganic salts. Finally, the filtrate was concentrated and the residue was purified by silica gel column chromatography to afford the target product 3-(trifluoromethyl)benzamide.

References

[1] Tetrahedron Letters, 2012, vol. 53, # 23, p. 2860 - 2863
[2] Catalysis Science and Technology, 2015, vol. 5, # 5, p. 2865 - 2868

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