2-(1H-PYRAZOL-4-YL)-ETHANOL Chemical Properties

Melting point:

54-55 °C

Boiling point:

140-145 °C(Press: 0.3 Torr)

Density 

1.228±0.06 g/cm3(Predicted)

storage temp. 

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

form 

solid

pka

14.34±0.50(Predicted)

color 

Yellow

InChI

InChI=1S/C5H8N2O/c8-2-1-5-3-6-7-4-5/h3-4,8H,1-2H2,(H,6,7)

InChIKey

YVQFZSHMTCZYMI-UHFFFAOYSA-N

SMILES

N1C=C(CCO)C=N1

Safety Information

Hazard Codes 

Xi

HazardClass 

IRRITANT

HS Code 

2933199090

2-(1H-PYRAZOL-4-YL)-ETHANOL Usage And Synthesis

Synthesis

General procedure for the synthesis of 2-(1H-pyrazol-4-yl)ethanol from 3-(diethoxymethyl)-2-ethoxytetrahydrofuran: To intermediate 47A (30.00 g, 137.00 mmol) was slowly added hydrazine dihydrochloride (18.75 g, 179.00 mmol) dissolved in a mixture of water (50 mL) and ethanol (25 mL) at 0 °C. solution. The reaction mixture was stirred at 0°C for 1 hour and then continued to stir at room temperature for 1 hour. Sodium carbonate (30.00 g) was added to the reaction mixture and then evaporated to dryness under reduced pressure. The residue was washed with ethanol (10 mL) and evaporated again to give Intermediate 47B (15.00 g, 92% yield) as a brown oil. The product was analyzed by 'HNMR (400 MHz, CDCI3) with chemical shifts of 6 ppm 2.78 (t, J=6.38 Hz, 2H), 3.72 (d, J=7.25 Hz, 1H), 3.77-3.88 (m, 2H), 7.49 (s, 2H), and 9.52-10.74 (m, 1H).The LCMS analysis (Method-i) showed a retention time of 0.40 min and [M-H]- peak of 113.0.

References

[1] Patent: WO2018/93569, 2018, A1. Location in patent: Page/Page column 134
[2] Journal of the American Chemical Society, 1953, vol. 75, p. 4048,4050

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