3-METHYL-5-NITRO-1H-INDAZOLE Chemical Properties

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

Safety Information

HazardClass 

IRRITANT

HS Code 

2933998090

3-METHYL-5-NITRO-1H-INDAZOLE Usage And Synthesis

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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