5-bromo-2-(trifluoromethyl)pyrimidine Chemical Properties

Melting point:

41-42°

Boiling point:

139.8±40.0 °C(Predicted)

Density 

1.807±0.06 g/cm3(Predicted)

storage temp. 

2-8°C

pka

-3.28±0.22(Predicted)

form 

Crystalline

color 

White

InChI

InChI=1S/C5H2BrF3N2/c6-3-1-10-4(11-2-3)5(7,8)9/h1-2H

InChIKey

GIFDWXWNFKZVEI-UHFFFAOYSA-N

SMILES

C1(C(F)(F)F)=NC=C(Br)C=N1

Safety Information

HazardClass 

IRRITANT

HS Code 

2934999090

5-bromo-2-(trifluoromethyl)pyrimidine Usage And Synthesis

Uses

5-bromo-2-(trifluoromethyl)pyrimidine was used in the preparation of pyrimidinone compounds as Lp-PLA2 inhibitors.

Synthesis

General procedure for the synthesis of 5-bromo-2-trifluoromethylpyrimidine using 2-trifluoromethylpyrimidine as starting material: 24 g of 2-trifluoromethylpyrimidine was dissolved in 200 ml of acetic acid and 50 g of bromine was added slowly and dropwise. The reaction mixture was heated to reflux and kept reacting overnight. After completion of the reaction, it was cooled to room temperature and extracted by adding appropriate amount of water and ethyl acetate. The organic and aqueous phases were separated and the organic phase was collected. The organic phase was dried with anhydrous sodium sulfate and subsequently concentrated under reduced pressure to give 29 g of 5-bromo-2-trifluoromethylpyrimidine.

References

[1] Patent: CN108129456, 2018, A. Location in patent: Paragraph 0020; 0021-0022
[2] Patent: CN108218792, 2018, A. Location in patent: Paragraph 0020; 0021; 0022

5-bromo-2-(trifluoromethyl)pyrimidine(799557-86-1)Related Product Information

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