(1-Methyl-1H-[1,2,4]triazol-3-yl)-methanol Chemical Properties

Boiling point:

296.8±42.0 °C(Predicted)

Density 

1.33±0.1 g/cm3(Predicted)

storage temp. 

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

pka

13.16±0.10(Predicted)

InChI

InChI=1S/C4H7N3O/c1-7-3-5-4(2-8)6-7/h3,8H,2H2,1H3

InChIKey

WEDYTSQNYJKOPC-UHFFFAOYSA-N

SMILES

N1(C)C=NC(CO)=N1

Safety Information

HazardClass 

IRRITANT

HS Code 

2933998090

(1-Methyl-1H-[1,2,4]triazol-3-yl)-methanol Usage And Synthesis

Synthesis

153.1 g (0.443 mol, 1.0 eq) of N-formyl-2-trityloxyacetamide was added to a 1L three-necked flask with a mechanical stirrer and a thermometer.30.6 g (0.664 mol, 1.5 eq) of methyl hydrazine and 800 mL of chloroform, stirring was started, 1.5 g (8.9 mmol, 0.02 eq) of p-toluenesulfonic acid was added, and the mixture was stirred at room temperature for 4 h. The remaining material in the HPLC control was less than 1 per cent.225mL2mol/L hydrochloric acid, stirring at room temperature for 2 hours, saturated sodium carbonate solution to adjust the pH value of 6-7, layering, the aqueous layer extracted with chloroform(100mL×2), the organic layer was combined with the solvent under reduced pressure to obtain a crude product. The crude product was recrystallized from ethanol/water (1:2), suction-filtered and dried.Colorless needle crystals (1-methyl-1H-[1,2,4]triazol-3-yl)-methanol 43.0 g, yield 85percent, purity 97.0percent (HPLC),Mp 73-75°C.