| Identification | Back Directory | [Name]
3-METHYL-5-NITRO-1H-INDAZOLE | [CAS]
40621-84-9 | [Synonyms]
3-METHYL-5-NITRO-1H-INDAZOLE
3-Methyl-5-nitro-1H-indaz...
1H-Indazole, 3-methyl-5-nitro- | [Molecular Formula]
C8H7N3O2 | [MDL Number]
MFCD07082699 | [MOL File]
40621-84-9.mol | [Molecular Weight]
177.16 |
| Chemical Properties | Back Directory | [Melting point ]
213 °C | [Boiling point ]
384.9±22.0 °C(Predicted) | [density ]
1.437±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
12.10±0.40(Predicted) | [Appearance]
Light yellow to yellow Solid | [InChI]
InChI=1S/C8H7N3O2/c1-5-7-4-6(11(12)13)2-3-8(7)10-9-5/h2-4H,1H3,(H,9,10) | [InChIKey]
ZGDNJFXKELMVLS-UHFFFAOYSA-N | [SMILES]
N1C2=C(C=C([N+]([O-])=O)C=C2)C(C)=N1 |
| Hazard Information | Back Directory | [Synthesis]
Step 2) Synthesis of 3-methyl-5-nitro-1H-indazole: 1-(2-hydroxy-5-nitrophenyl)ethanone (0.54 g, 3 mmol) was dissolved in anhydrous hydrazine (2 mL) and the reaction was stirred under microwave radiation for 5 min at 150 °C. After completion of the reaction, water (0.5 mL) was added at 0 °C to quench the reaction. The reaction mixture was diluted with ethyl acetate (10 mL) and subsequently washed with water. The organic layer was dried over anhydrous magnesium sulfate and concentrated under reduced pressure. The residue was recrystallized by dichloromethane to give the title compound in 80% yield.1H-NMR (300 MHz, CDCl3) δ 8.78 (s, 1H), 8.27 (m, 1H), 7.86 (m, 1H), 2.79 (s, 3H). | [References]
[1] Patent: WO2006/109933, 2006, A1. Location in patent: Page/Page column 48-49
[2] Patent: US2008/194661, 2008, A1. Location in patent: Page/Page column 20-21 |
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