1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE Chemical Properties

Melting point:

116-119°C

Boiling point:

331.4±44.0 °C(Predicted)

Density 

1.16±0.1 g/cm3(Predicted)

storage temp. 

2-8°C, stored under nitrogen

pka

5.37±0.10(Predicted)

Appearance

White to off-white Solid

Sensitive 

Hygroscopic

BRN 

6286

InChI

InChI=1S/C8H9N3O/c1-6-5-7(2)11(10-6)8(12)3-4-9/h5H,3H2,1-2H3

InChIKey

DDWZYWSLHBDVGR-UHFFFAOYSA-N

SMILES

C(N1N=C(C)C=C1C)(=O)CC#N

Safety Information

Safety Statements 

22-24/25

MSDS

• Language:English Provider:ALFA

1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE Usage And Synthesis

Uses

1-Cyanoacetyl-3,5-dimethyl-1H-pyrazole is used in pharma industry.

Synthesis

Treatment of cyanoacetic acid hydrazide (2) in water containing a catalytic amount of conc. HCl with acetyl acetone at room temperature afforded 1-cyanoacetyl-3, 5-dimethyl pyrazole 5^[1].

References

[1] S. Bondock, A. F., Abd El-Gaber El-Tarhoni. (2006). Utility of cyanoacetic acid hydrazide in heterocyclic synthesis. Arkivoc, 2006 1. https://doi.org/10.3998/ark.5550190.0007.905

1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE(36140-83-7)Related Product Information

• 3,5-Dimethylpyrazole
• 2-[(E)-2-(3,5-DICHLOROPHENYL)HYDRAZONO]-3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-3-OXOPROPANENITRILE
• 3-(4-ETHYL-3,5-DIMETHYL-1H-PYRAZOL-1-YL)-3-OXOPROPANENITRILE
• (Z)-3-(DIMETHYLAMINO)-2-[(4-ETHYL-3,5-DIMETHYL-1H-PYRAZOL-1-YL)CARBONYL]-2-PROPENENITRILE
• 1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE
• 2-[(E)-2-(2-BROMOPHENYL)HYDRAZONO]-3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-3-OXOPROPANENITRILE
• (E)-3-(DIMETHYLAMINO)-2-[(3,4,5-TRIMETHYL-1H-PYRAZOL-1-YL)CARBONYL]-2-PROPENENITRILE
• 3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-2-[(Z)-2-(2-NITROPHENYL)HYDRAZONO]-3-OXOPROPANENITRILE
• 3-(3,5-DIMETHYL-4-PROPYL-1H-PYRAZOL-1-YL)-2-[(E)-2-(2-NITROPHENYL)HYDRAZONO]-3-OXOPROPANENITRILE
• 2-[(E)-2-(2-NITROPHENYL)HYDRAZONO]-3-OXO-3-(3,4,5-TRIMETHYL-1H-PYRAZOL-1-YL)PROPANENITRILE
• 3-(3,5-DIMETHYL-4-PROPYL-1H-PYRAZOL-1-YL)-3-OXOPROPANENITRILE
• 3-(DIMETHYLAMINO)-2-[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)CARBONYL]ACRYLONITRILE