1,2-Dihydro-3H-1,2,4-triazol-3-one Chemical Properties

Melting point:

234-235 °C

Boiling point:

270℃[at 101 325 Pa]

Density 

1.81±0.1 g/cm3(Predicted)

vapor pressure 

0.003Pa at 25℃

storage temp. 

Inert atmosphere,Room Temperature

solubility 

DMSO (Sparingly), Methanol (Slightly, Sonicated)

form 

crystals

pka

8.81±0.20(Predicted)

color 

White

Water Solubility 

76g/L at 20℃

LogP

0 at 35℃

NIST Chemistry Reference

3H-1,2,4-Triazol-3-one, 1,2-dihydro-(930-33-6)

EPA Substance Registry System

3H-1,2,4-Triazol-3-one, 1,2-dihydro- (930-33-6)

Safety Information

HS Code 

2933998090

1,2-Dihydro-3H-1,2,4-triazol-3-one Usage And Synthesis

Chemical Properties

white solid

Flammability and Explosibility

Not classified

Synthesis

Example 2 Synthesis of 1,2,4-triazolin-5-one: A mixture of aminourea hydrochloride (10.0 g, 89.6 mmol), trimethyl orthoformate (28.5 g, 269 mmol), and methanol (100 mL) was stirred for 2 hours at room temperature. Upon completion of the reaction, the solvent was removed by concentration under reduced pressure. Subsequently, toluene (100 mL) was added to the concentrate and the mixture was cooled to 0°C. The precipitate was collected by filtration to afford 1,2-dihydro-3H-1,2,4-triazol-3-one (7.26 g, 100% yield) as a white solid. The structure of the product was confirmed by 1H NMR (d6-DMSO) and 13C NMR (d6-DMSO): 1H NMR δ= 7.66 (1H, s, CH), 11.24 (1H, s, NH) and 11.35 (1H, s, NH); and 13C NMR δ= 137.0 (CH2C=N) and 156.6 (NHCONH).

References

[1] Patent: US2003/187274, 2003, A1

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