1,4-dimethyl-1H-pyrazol-3-amine

Base Information

• Chemical Name: 1,4-dimethyl-1H-pyrazol-3-amine
• CAS No.: 85485-61-6
• Molecular Formula: C₅H₉N₃
• Molecular Weight: 111.147
• DSSTox Substance ID: DTXSID40511403
• Wikidata: Q82370175
• Mol file: 85485-61-6.mol

Synonyms:1,4-dimethyl-1H-pyrazol-3-amine;85485-61-6;1,4-dimethylpyrazol-3-amine;3-Amino-1,4-dimethylpyrazole;1,4-DIMETHYL-1H-PYRAZOL-3-YLAMINE;MFCD11215414;1H-Pyrazol-3-amine,1,4-dimethyl-(9CI);1,4-Dimethyl-1H-pyrazole-3-amine;SCHEMBL1724597;DTXSID40511403;GZJVUJXNJCCGEC-UHFFFAOYSA-N;3-amino-1,4-dimethyl-1h-pyrazole;AMY33262;AKOS005169090;SB39054;AS-35753;SY086778;CS-0055102;FT-0661768;EN300-232252

Chemical Property of 1,4-dimethyl-1H-pyrazol-3-amine

Chemical Property:

• Vapor Pressure: 0.044mmHg at 25°C
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 111.079647300
• Heavy Atom Count: 8
• Complexity: 83.7

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-1,4-dimethylpyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(N=C1N)C
• Uses: 3-Amino-1,4-dimethylpyrazole is used in the preparation of peptides as cysteine protease inhibitors.

Technology Process of 1,4-dimethyl-1H-pyrazol-3-amine

There total 3 articles about 1,4-dimethyl-1H-pyrazol-3-amine 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: 92.0%

1,4-dimethyl-3-nitropyrazole (26956-09-2) → 3-amino-1,4-dimethyl-1H-pyrazole (85485-61-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 4h; under 760.051 Torr;

DOI:10.1021/jacs.6b11626

Reference yield: 30.0%

2,3-dibromo-2-methylpropanenitrile (28786-90-5) + methylhydrazine (60-34-4) → 3-amino-1,4-dimethyl-1H-pyrazole (85485-61-6) + 2,4-dimethyl-2H-pyrazol-3-ylamine (3524-49-0)

Guidance literature:

With potassium hydroxide; In methanol; r.t. overnight, reflux 5 h;

Reference yield:

→ 3-amino-1,4-dimethyl-1H-pyrazole (85485-61-6)

Guidance literature:

2-Cyanopropionaldehyd-ethylmethylacetal, Methylhydrazinsulfat/HCl/MeOH/Δ neben /BRN= 606488/;

upstream raw materials:

2,3-dibromo-2-methylpropanenitrile

methylhydrazine

1,4-dimethyl-3-nitropyrazole

Downstream raw materials:

3-iodo-1,4-dimethyl-1H-pyrazole

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