4-CYANOPYRAZOLE Chemical Properties

Melting point:

190-192°C

Boiling point:

317.4±15.0 °C(Predicted)

Density 

1.28±0.1 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

solubility 

DMSO (Slightly), Methanol (Slightly)

pka

10.30±0.50(Predicted)

form 

Solid

color 

White

InChI

InChI=1S/C4H3N3/c5-1-4-2-6-7-3-4/h2-3H,(H,6,7)

InChIKey

NUGZBVBZIDWZAD-UHFFFAOYSA-N

SMILES

N1C=C(C#N)C=N1

Safety Information

Hazard Codes 

Xn

Risk Statements 

22

WGK Germany 

3

HS Code 

2933199090

4-CYANOPYRAZOLE Usage And Synthesis

Uses

4-Cyanopyrazole is used to catalyze epoxidation of ethene by hydrogen peroixde.

Synthesis

4-Cyanopyrazole (0.2 mmol), N-phenylmaleimide (0.22 mmol) and Ag2CO3 (2.76 mg, 0.01 mmol, 5 mol%) were miscible in a dry reaction flask (15 ml, pore size 15 mm). The resulting reaction mixture was then stirred in DCE (1 ml) and then the reaction mixture was stirred in an oil bath at 100??C under air atmosphere for 12 hours. The completion of the reaction was monitored by thin layer chromatography and at the end of the reaction the resulting mixture was poured into water (10 ml) and the mixture was extracted three times with DCM (CH2Cl2, 10 mL ?? 3) and the combined organic layers were dried over anhydrous Na2SO4. The desiccant was removed by filtration and the resulting filtrate was concentrated in vacuo. Finally, the resulting residue was purified by silica gel column chromatography to obtain the target product molecule.

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