3-Methyl-6-nitroindazole
- CAS No.
- 6494-19-5
- Chemical Name:
- 3-Methyl-6-nitroindazole
- Synonyms
- -6-nitro-1H-indazoL;3-Methyl-6-Nitro-1H-;Pazopanib Impurity 49;3-Methyl-6-nitroindole;6-Nitro-3-Methylindazole;3-Methyl-6-nitroindazole;3-Methyl-6-Nitro-1h-Indole;3-Methyl-6-nitroindazole>3-Methyl-6-nitro-2H-indazole;3-METHYL-6-NIFRO-1H-INDAZOLE
- CBNumber:
- CB0855330
- Molecular Formula:
- C8H7N3O2
- Molecular Weight:
- 177.16
- MOL File:
- 6494-19-5.mol
- Modify Date:
- 2024/6/3 16:17:15
| Melting point | 187-188°C |
|---|---|
| Boiling point | 384.9±22.0 °C(Predicted) |
| Density | 1.437 |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 11.47±0.40(Predicted) |
| color | Beige to Dark Yellow |
| InChI | InChI=1S/C8H7N3O2/c1-5-7-3-2-6(11(12)13)4-8(7)10-9-5/h2-4H,1H3,(H,9,10) |
| InChIKey | FUNWSYKLFDLUIZ-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC([N+]([O-])=O)=C2)C(C)=N1 |
| CAS DataBase Reference | 6494-19-5 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302+H312+H332-H315-H319 |
| Precautionary statements | P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312 |
| Risk Statements | 20/21/22 |
| Safety Statements | 24/25-36/37 |
| HS Code | 29339900 |
3-Methyl-6-nitroindazole price More Price(2)
3-Methyl-6-nitroindazole Chemical Properties,Uses,Production
Description
3-Methyl-6-nitroindazole is an important organic reagent or pharmaceutical intermediate compound used in the preparation of key intermediates of pazopanib. In experimental studies, it is mostly used for solubility determination, correlation and molecular interaction analysis studies in different pure and mixed solvents. The results showed that in the temperature range of (278.15 ~ 328.15)K, the molar fraction solubility of 3-Methyl-6-nitroindazole increased with increasing temperature in both pure and mixed solvent systems, and was maximum in pure N, N-dimethylformamide and minimum in water.
Chemical Properties
Brown solid
Uses
3-Methyl-6-nitroindazole a reactant used in the preparation of Pazopanib (P210925), an oral angiogenesis inhibitor targeting VEGFR and PDGFR.
References
[1] Li, Wanxin et al. “3-Methyl-6-nitroindazole in some aqueous co-solvent mixtures: Solubility determination, preferential solvation and solvent effect analysis.” The Journal of Chemical Thermodynamics 34 1 (2020): 0.
[2] Li Wang. “Solubility Measurement, Correlation, and Molecular Interactions of 3-Methyl-6-nitroindazole in Different Neat Solvents and Mixed Solvents from T = 278.15 to 328.15 K.” Journal of Chemical & Engineering Data 64 8 (2019): 3260–3269.
Physical properties
3-Methyl-6-nitroindazole, a slightly yellow to tawny powder with a molecular weight of 177.16, is one critical intermediate of Pazopanib. The chemical structure of 3-methyl-6-nitroindazole is shown below. Wang et al. measured the solubility of 3-methyl-6-nitroindazole in eight pure solvents [i.e., N, N-dimethylformamide (DMF), tetrahydrofuran (THF), acetone, ethyl acetate (EA), ethanol, acetonitrile, n-propanol, water] and three mixed solvents (DMF + water, THF + cyclohexane, acetone + water) at temperatures T = 278.15 to 328.15 K and under atmosphere pressure. Whether in a pure solvent or a mixed system, the results show that mole fraction solubilities of 3-methyl-6-nitroindazole increased with increasing temperature. Among the three groups of mixed solvents measured, the molar fraction of 3-methyl-6-nitroindazole in the (DMF + water) system is the maximum[1-2].
3-Methyl-6-nitroindazole Preparation Products And Raw materials
Raw materials
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