3-methyl-5-nitro-1H-pyrazole

Base Information

• Chemical Name: 3-methyl-5-nitro-1H-pyrazole
• CAS No.: 1048925-02-5
• Molecular Formula: C₄H₅N₃O₂
• Molecular Weight: 127.103
• Mol file: 1048925-02-5.mol

Synonyms:

Chemical Property of 3-methyl-5-nitro-1H-pyrazole

Chemical Property:

• Boiling Point: 335.7±22.0 °C(Predicted)
• PKA: 8.88±0.10(Predicted)
• Density: 1.426±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

5-Methyl-3-nitro-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 5-Methyl-3-nitro-1H-pyrazole is a reagent used in the preparation of sulfonylpyridine inhibitors of Interleukin-2 inducible T-cell kinase. 3-Methyl-5-nitro-1H-pyrazole was utilized as a scaffold for the synthesis of 7-trifluoromethyl-substituted pyrazolo[1,5-a]pyrimidine.

Technology Process of 3-methyl-5-nitro-1H-pyrazole

There total 3 articles about 3-methyl-5-nitro-1H-pyrazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

3-methyl-5-aminopyrazole (31230-17-8) → 5-methyl-3-nitro-1H-pyrazole (34334-96-8,1048925-02-5)

Guidance literature:

With oxone||potassium monopersulfate triple salt; In water; at 40 ℃; for 18h; Green chemistry;

DOI:10.1021/op5000754

Reference yield:

C11H8FN3O3 → 5-methyl-3-nitro-1H-pyrazole (34334-96-8,1048925-02-5)

Guidance literature:

With phosphate buffer; at 25 ℃; Kinetics;

DOI:10.1021/jm070600+

Reference yield:

→ 5-methyl-3-nitro-1H-pyrazole (34334-96-8,1048925-02-5)

Guidance literature:

Thermolyse von 3;

DOI:10.1021/jo00820a004

upstream raw materials:

3-methyl-5-aminopyrazole

Downstream raw materials:

1-amino-3-nitro-5-methylpyrazole

2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethanol

Refernces

• 1、 Janssen,Habraken. "-". . p. 3081. Retrieved 1971.
• 2、 -. "INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS". Page/Page column 99. . Retrieved 2020/05/15.