3-Trifluoromethyl-piperazine-1-carboxylic acid tert-butyl ester Chemical Properties

Boiling point:

263.4±35.0 °C(Predicted)

Density 

1.189±0.06 g/cm3(Predicted)

storage temp. 

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

pka

5.95±0.40(Predicted)

Appearance

White to off-white Solid

3-Trifluoromethyl-piperazine-1-carboxylic acid tert-butyl ester Usage And Synthesis

Synthesis

To a solution of 2-(trifluoromethyl)piperazine (135 mg, 0.876 mmol) in dichloromethane (6 mL) was added di-tert-butyl dicarbonate (0.224 mL, 0.963 mmol) and the reaction mixture was stirred for 3 hours at room temperature. After completion of the reaction, the mixture was concentrated and the residue was purified by silica gel column chromatography (eluent: 0-100% hexane solution of ethyl acetate) to afford 1-Boc-3-trifluoromethylpiperazine (200 mg, 0.787 mmol, 90% yield) as a light yellow solid. Mass spectrometry (ES+) analysis: the theoretical value of C10H17F3N2O2 was 254 and the measured value was 155 [M+H]+ - Boc group.

References

[1] Patent: WO2018/136887, 2018, A1. Location in patent: Page/Page column 122
[2] Patent: WO2014/175621, 2014, A1. Location in patent: Paragraph 662; 663; 664

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