3-Methyl-6-nitroindazole Struktur

3-Methyl-6-nitroindazole

Bezeichnung:3-Methyl-6-nitroindazole

CAS-Nr6494-19-5

Englisch Name:3-Methyl-6-nitroindazole

CBNumberCB0855330

SummenformelC8H7N3O2

Molgewicht177.16

MOL-Datei6494-19-5.mol

3-Methyl-6-nitroindazole physikalisch-chemischer Eigenschaften

Schmelzpunkt	187-188°C
Siedepunkt	384.9±22.0 °C(Predicted)
Dichte	1.437
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pka	11.47±0.40(Predicted)
Farbe	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 Datenbank	6494-19-5

Sicherheit

R-Sätze:	20/21/22
S-Sätze:	24/25-36/37
HS Code	29339900

Gefahreninformationscode (GHS)

3-Methyl-6-nitroindazole Chemische Eigenschaften,Einsatz,Produktion Methoden

Beschreibung
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.
Chemische Eigenschaften
Brown solid
Verwenden
3-Methyl-6-nitroindazole a reactant used in the preparation of Pazopanib (P210925), an oral angiogenesis inhibitor targeting VEGFR and PDGFR.
Einzelnachweise
[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.
Physikalische Eigenschaften
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 Upstream-Materialien And Downstream Produkte

3-Methyl-6-nitroindazole Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

6494-19-5, 3-Methyl-6-nitroindazole Verwandte Suche:

Send Inquriy