| Identification | Back Directory | [Name]
3-Methyl-4-nitropyrazole | [CAS]
5334-39-4 | [Synonyms]
3-Methyl-4-nitropyra
at-7519-lua2-3-261-156g
3-Methyl-4-nitropyrazole
3-Methyl-4-nitropyrazole>
1H-Pyrazole, 3-methyl-4-nitro-
3-Methyl-4-nitro-1H-pyrazole,97%
1H-Pyrazole,3-methyl-4-nitro-(9CI)
3-Methyl-4-Nitro-1H-Pyrazole
3-Methyl-4-Nitro-1H-Pyrazole | [Molecular Formula]
C4H5N3O2 | [MDL Number]
MFCD00037864 | [MOL File]
5334-39-4.mol | [Molecular Weight]
127.1 |
| Questions And Answer | Back Directory | [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. |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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 |
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