1H-Pyrazol-4-amine, 1-methyl-5-nitro-

Base Information

• Chemical Name: 1H-Pyrazol-4-amine, 1-methyl-5-nitro-
• CAS No.: 89607-16-9
• Molecular Formula: C4H6N4O2
• Molecular Weight: 142.11600
• DSSTox Substance ID: DTXSID20343224
• Wikidata: Q82114476
• Mol file: 89607-16-9.mol

Synonyms:89607-16-9;1H-Pyrazol-4-amine, 1-methyl-5-nitro-;1-Methyl-5-nitro-1H-pyrazol-4-amine;1-methyl-5-nitropyrazol-4-amine;4-Amino-1-methyl-5-nitropyrazole;SCHEMBL8384735;DZHKSYCPRIBWJJ-UHFFFAOYSA-;4-amino-1-methyl-5-nitropyrazol;DTXSID20343224;4-amino-1-methyl-5-nitro-pyrazole;MFCD16619834;STL588364;AKOS006337465;1-Methyl-5-nitro-1H-pyrazol-4-amine #

Chemical Property of 1H-Pyrazol-4-amine, 1-methyl-5-nitro-

Chemical Property:

• PSA: 89.66000
• LogP: 1.01490
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 142.04907545
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

1-methyl-5-nitro-1H-Pyrazol-4-amine 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C=N1)N)[N+](=O)[O-]

Technology Process of 1H-Pyrazol-4-amine, 1-methyl-5-nitro-

There total 1 articles about 1H-Pyrazol-4-amine, 1-methyl-5-nitro- 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: 59.0%

4-bromo-1-methyl-5-nitropyrazole (89607-11-4) → 4-amino-1-methyl-5-nitropyrazole (89607-16-9)

Guidance literature:

With ammonium hydroxide; copper; at 140 ℃; for 4h; high pressure;

DOI:10.1007/BF00842842

Reference yield:

1-iodo-2,4-dinitrobenzene (709-49-9) + 4-amino-1-methyl-5-nitropyrazole (89607-16-9) → 4-(2',4'-dinitrophenylamino)-1-methyl-5-nitropyrazole

Guidance literature:

With potassium hydroxide; In acetonitrile;

Reference yield:

4-amino-1-methyl-5-nitropyrazole (89607-16-9) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → 4-(4-N,N-dimethylaminophenylazo)-1-methyl-5-nitropyrazole (130785-96-5)

Guidance literature:

With phosphoric acid; sodium nitrite; Yield given. Multistep reaction; 2) HOAc;

DOI:10.1007/BF00487428

upstream raw materials:

4-bromo-1-methyl-5-nitropyrazole

Downstream raw materials:

4-(4-N,N-dimethylaminophenylazo)-1-methyl-5-nitropyrazole

4-(4-hydroxyphenylazo)-1-methyl-5-phenoxypyrazole

1-methyl-4-(4-hydroxyphenylazo)-5-chloropyrazole