6-Trifluoromethyl pyrimidin-4-ylamine Chemical Properties

Boiling point:

231.9±40.0 °C(Predicted)

Density 

1.460±0.06 g/cm3(Predicted)

storage temp. 

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

pka

2.21±0.10(Predicted)

Appearance

White to off-white Solid

InChI

InChI=1S/C5H4F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2H,(H2,9,10,11)

InChIKey

FIAIKJQZLXLGCR-UHFFFAOYSA-N

SMILES

C1=NC(C(F)(F)F)=CC(N)=N1

CAS DataBase Reference

672-41-3

Safety Information

HS Code 

2933599590

6-Trifluoromethyl pyrimidin-4-ylamine Usage And Synthesis

Synthesis

General procedure for the synthesis of 4-amino-6-trifluoromethylpyrimidines using 4-chloro-6-trifluoromethylpyrimidines as starting material: Method 30 Synthesis of 4-amino-6-trifluoromethylpyrimidine 4-Chloro-6-trifluoromethylpyrimidine (1.7 g, 9.9 mmol) was dissolved in acetonitrile (50 mL) followed by addition of 25% ammonia solution (80 mL). The reaction mixture was stirred at 25 °C for about 12 hours. Upon completion of the reaction, the reaction was quenched with water and extracted with ethyl acetate. The organic phases were combined and dried sequentially with saturated sodium chloride solution and anhydrous sodium sulfate. The organic solvent was removed by concentration under reduced pressure to give 1.5 g (98% yield) of the target compound 4-amino-6-trifluoromethylpyrimidine as a white solid. Nuclear magnetic resonance hydrogen spectroscopy (NMR) data: δ 6.80 (s, 1H); δ 7.52 (brs, 2H); δ 8.49 (s, 1H).

References

[1] Patent: US2009/170849, 2009, A1. Location in patent: Page/Page column 14
[2] Patent: WO2014/176210, 2014, A1. Location in patent: Paragraph 00236
[3] Patent: US2015/197511, 2015, A1. Location in patent: Paragraph 0393; 0394
[4] Patent: WO2007/119055, 2007, A1. Location in patent: Page/Page column 37

6-Trifluoromethyl pyrimidin-4-ylamine(672-41-3)Related Product Information

• 6-Trifluoromethyl pyrimidin-4-ylamine
• 4-CHLORO-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YLAMINE
• 5-Trifluoromethyl-pyrimidin-2-ylamine
• 5-(Trifluoromethyl)pyridin-2-amine
• 4-TERT-BUTYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YLAMINE
• ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE
• 4-(TRIFLUOROMETHYL)PYRIMIDIN-2-YLAMINE
• 2-Trifluoromethyl-pyrimidin-5-ylamine
• 2-(2-PYRIDINYL)-N-(2-THIENYLMETHYL)-6-(TRIFLUOROMETHYL)-4-PYRIMIDINAMINE
• N-BENZYL-2-(2-PYRIDINYL)-6-(TRIFLUOROMETHYL)-4-PYRIMIDINAMINE
• 2-Amino-4-trifluoromethyl-pyrimidine-5-carboxylic acid ,97%
• 2-TRIFLUOROMETHYL-4-PYRIMIDINE CARBOXAMIDE
• 2-AMINO-4-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID
• N-(2-CHLOROBENZYL)-2-(2-PYRIDINYL)-6-(TRIFLUOROMETHYL)-4-PYRIMIDINAMINE
• N-(4-CHLOROBENZYL)-2-(2-PYRIDINYL)-6-(TRIFLUOROMETHYL)-4-PYRIMIDINAMINE
• BUTTPARK 2\01-68
• N,N-DIMETHYL-4-(4-PHENYLPIPERAZINO)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINAMINE
• 4-[4-(4-FLUOROPHENYL)PIPERAZINO]-N,N-DIMETHYL-6-(TRIFLUOROMETHYL)-2-PYRIMIDINAMINE