3-Methyl-4-nitropyrazole Chemical Properties

Melting point:

131-134℃

Boiling point:

325℃

Density 

1.426±0.06 g/cm3(Predicted)

RTECS 

UQ7435000

storage temp. 

Sealed in dry,Room Temperature

form 

powder to crystal

pka

10.19±0.50(Predicted)

color 

White to Light yellow

Water Solubility 

Slightly soluble in water.

InChI

InChI=1S/C4H5N3O2/c1-3-4(7(8)9)2-5-6-3/h2H,1H3,(H,5,6)

InChIKey

WTZYTQJELOHMMJ-UHFFFAOYSA-N

SMILES

N1C=C([N+]([O-])=O)C(C)=N1

Safety Information

Risk Statements 

36/37/38

Safety Statements 

26-37

HS Code 

29331990

3-Methyl-4-nitropyrazole Usage And Synthesis

Uses

3-Methyl-4-nitropyrazole is a reactant used in the preparation of aminopyrazole derivatives as potent, selective and brain penetrant Leucine-rich repeat kinase 2(LRRK2) small molecule inhibitors.

Uses

3-Methyl-4-nitropyrazole is a reactant used in the preparation of aminopyrazole derivatives as potent, selective and brain penetrant Leucine-rich repeat kinase 2(LRRK2) small molecule inhibitors.

Synthesis

General method: 3-methyl-4-iodopyrazole (1 mmol) was dissolved in tetrahydrofuran (THF, 10 mL) and Fuajasite catalyst (250 mg) was added. Concentrated nitric acid (density 1.52 g/cm3, 10 mL) was added slowly and the reaction was stirred at room temperature until completion. At the end of the reaction, the catalyst was removed by filtration and the filtrate was extracted with dichloromethane several times. The organic phases were combined and concentrated under reduced pressure to remove the solvent to obtain 3-methyl-4-nitropyrazole.

References

[1] Synthetic Communications, 2012, vol. 42, # 23, p. 3463 - 3471
[2] Catalysis Communications, 2013, vol. 42, p. 35 - 39

3-Methyl-4-nitropyrazole(5334-39-4)Related Product Information

• Methyl acrylate
• Tolyltriazole
• 5-Methyl-1H-benzotriazole
• Methyl acetate
• Kresoxim-methyl
• Bensulfuron methyl
• Zolpidem tartrate
• METHYL THIOPHENE-2-CARBOXYLATE
• 3-Methylpyrazole
• Methylparaben
• 1-CHLOROMETHYL-1H-1,2,4-TRIAZOLE
• Thiophanate-methyl
• Methyl
• Parathion-methyl
• 3,5-Dimethyl-4-nitro-1H-pyrazole
• 5-CHLORO-1,3-DIMETHYL-4-NITRO-1H-PYRAZOLE
• 4-Nitropyrazole-3-carboxylic acid
• Methyl bromide