1H-Imidazole, 2-(trifluoromethyl)- Chemical Properties

Melting point:

145-147 °C(Solv: chloroform (67-66-3))

Boiling point:

186.1±40.0 °C(Predicted)

Density 

1.440±0.06 g/cm3(Predicted)

storage temp. 

2-8°C

form 

solid

pka

10.65±0.10(Predicted)

color 

white to off-white

InChI

InChI=1S/C4H3F3N2/c5-4(6,7)3-8-1-2-9-3/h1-2H,(H,8,9)

InChIKey

KJMXVHBTWJSSBL-UHFFFAOYSA-N

SMILES

C1(C(F)(F)F)NC=CN=1

Safety Information

HS Code 

2933299090

1H-Imidazole, 2-(trifluoromethyl)- Usage And Synthesis

Uses

2-Trifluoromethylimidazole is an intermediate used to prepare sulfonamide derivatives as amyloid β prodn. inhibitors useful in treating or preventing diseases related to Aβ.

Synthesis

General procedure for the synthesis of 2-(trifluoromethyl)-1H-imidazole from the compound (CAS:131543-46-9) and 2,2,2-trifluoroethane-1,1-diol: 20 mL of ammonia aqueous solution was added to a three-necked flask at room temperature and stirred. Subsequently, 5 mL of trifluoroacetaldehyde hydrate was mixed with 5 mL of glyoxal and slowly added dropwise to the aqueous ammonia solution, and the reaction was carried out for 2 hours at room temperature. After the reaction was completed, 20 mL of ethyl acetate was added for extraction for 30 minutes. The ethyl acetate layer was separated and dried with anhydrous magnesium sulfate. The solvent was removed by distillation under reduced pressure to give a final 4.2 g of brown oily product, 2-(trifluoromethyl)-1H-imidazole.

References

[1] Patent: CN107365272, 2017, A. Location in patent: Paragraph 0018; 0019

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