| Identification | More | [Name]
3,5-Dimethyl-4-nitro-1H-pyrazole | [CAS]
14531-55-6 | [Synonyms]
3,5-DIMETHYL-4-NITRO-1H-PYRAZOLE
4-NITRO-3,5-DIMETHYL-1H-PYRAZOLE
AKOS 90439
AKOS B001468
ART-CHEM-BB B001468
TIMTEC-BB SBB009217
5-23-05-00160 (Beilstein Handbook Reference)
1H-Pyrazole,3,5-dimethyl-4-nitro-(9CI) | [Molecular Formula]
C5H7N3O2 | [MDL Number]
MFCD00052513 | [Molecular Weight]
141.13 | [MOL File]
14531-55-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
125.0 to 129.0 °C | [Boiling point ]
325°C(lit.) | [density ]
1.339±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
10.75±0.50(Predicted) | [color ]
White to Almost white | [λmax]
274nm(CHCl3)(lit.) | [InChI]
InChI=1S/C5H7N3O2/c1-3-5(8(9)10)4(2)7-6-3/h1-2H3,(H,6,7) | [InChIKey]
OFQCJVVJRNPSET-UHFFFAOYSA-N | [SMILES]
N1C(C)=C([N+]([O-])=O)C(C)=N1 | [CAS DataBase Reference]
14531-55-6(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Uses]
As Pyrazoles compound, 3,5-Dimethyl-4-nitro-1H-pyrazole has the key structures in numerous compounds of therapeutic importance. Compounds containing this ring system are known to display diverse pharmacological activities, for example as antimalarial agents , anti-inflammatory agents, and against cardiovascular disease.[1] | [Synthesis]
General procedure for the synthesis of 3,5-dimethyl-4-nitropyrazole from 3,5-dimethyl-4-iodopyrazole:
1. 3,5-dimethyl-4-iodopyrazole (1 mmol) was dissolved in tetrahydrofuran (THF, 10 mL).
2. Add Fuajasite catalyst (250 mg) to the above solution.
3. Concentrated nitric acid (density 1.52 g/cm3, 10 mL) was added slowly.
4. Stir the reaction mixture at room temperature until the reaction is complete. 5.
5. Upon completion of the reaction, the catalyst was filtered to recover the catalyst. 6.
6. The filtrate was extracted several times with dichloromethane. 7.
7. The organic phases were combined and concentrated in vacuum to remove the solvent to give 3,5-dimethyl-4-nitropyrazole. | [References]
[1] Edward R T Tiekink, James L Wardell, Solange M S V Wardell. “3,5-Dimethyl-1-(4-nitro-phen-yl)-1H-pyrazole.” Acta crystallographica. Section E, Structure reports online 68 Pt 4 (2012): o1018. |
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