1,3-Dimethyl-1H-pyrazole-4,5-diamine

Base Information

• Chemical Name: 1,3-Dimethyl-1H-pyrazole-4,5-diamine
• CAS No.: 96886-30-5
• Molecular Formula: C5H10N4
• DSSTox Substance ID: DTXSID80437951
• Nikkaji Number: J1.886.243C
• Wikidata: Q82253558
• Mol file: 96886-30-5.mol

Synonyms:1,3-Dimethyl-1H-pyrazole-4,5-diamine;96886-30-5;SCHEMBL34154;DTXSID80437951;AKOS009572526;1,3-Dimethyl-4,5-diamino-1H-pyrazole

Chemical Property of 1,3-Dimethyl-1H-pyrazole-4,5-diamine

Chemical Property:

• Vapor Pressure: 0.00116mmHg at 25°C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 126.090546336
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1N)N)C

Technology Process of 1,3-Dimethyl-1H-pyrazole-4,5-diamine

There total 3 articles about 1,3-Dimethyl-1H-pyrazole-4,5-diamine 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: 50.0%

5-Amino-1,3-dimethylpyrazole (3524-32-1) → 4,5-diamino-3-methyl-1-methyl-1H-pyrazole (96886-30-5)

Guidance literature:

5-Amino-1,3-dimethylpyrazole; With sodium nitrite; In hydrogenchloride; at 0 ℃;

With tin(ll) chloride; In hydrogenchloride; at 20 ℃;

DOI:10.1016/S0040-4039(03)00398-8

Reference yield:

1,3-dimethyl-4-nitroso-5-aminopyrazole (58663-94-8) → 4,5-diamino-3-methyl-1-methyl-1H-pyrazole (96886-30-5)

Guidance literature:

With hydrazine hydrate; palladium on activated charcoal; In methanol; for 0.0833333h; Heating;

Reference yield:

→ 4,5-diamino-3-methyl-1-methyl-1H-pyrazole (96886-30-5)

Guidance literature:

upstream raw materials:

1,3-dimethyl-4-nitroso-5-aminopyrazole

5-Amino-1,3-dimethylpyrazole

Downstream raw materials:

1,3-dimethyl-4-isothiocyanato-1H-pyrazol-5-ylamine

1,3-dimethyl-4,6-dihydro-1H-imidazo[4,5-c]pyrazole-5-thione

1,3-dimethyl-5-<4-(2-methylimidazo<4,5-c>pyrid-1-yl)phenyl>-1,6,7,8-tetrahydropyrazolo<3,4-b><1,4>diazepin-7-one