1,4-Dimethyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 1,4-Dimethyl-1H-pyrazol-5-amine
• CAS No.: 3524-49-0
• Molecular Formula: C5H9 N3
• Molecular Weight: 111.15
• Hs Code.: 2933199090
• European Community (EC) Number: 801-907-1
• DSSTox Substance ID: DTXSID80511402
• Nikkaji Number: J2.295.929H
• Wikidata: Q82370174
• Mol file: 3524-49-0.mol

Synonyms:1,4-Dimethyl-1H-pyrazol-5-amine;3524-49-0;2,4-dimethyl-2h-pyrazol-3-ylamine;2,4-DIMETHYLPYRAZOL-3-AMINE;MFCD08059942;5-Amino-1,4-dimethyl-1H-pyrazole;1H-Pyrazol-5-amine, 1,4-dimethyl-;SCHEMBL2067300;5-amino-1,4-dimethyl-pyrazole;DTXSID80511402;AHTVCDZZGBELIK-UHFFFAOYSA-N;1h-pyrazol-5-amine,1,4-dimethyl-;2,4-dimethyl-2-H-pyrazol-3-ylamine;AKOS002659457;KS-7086;AM100706;SY101574;FT-0736960;EN300-194211

Chemical Property of 1,4-Dimethyl-1H-pyrazol-5-amine

Chemical Property:

• Vapor Pressure: 0.044mmHg at 25°C
• Melting Point: 134-135 °C
• Refractive Index: 1.582
• Boiling Point: 237.632°C at 760 mmHg
• PKA: 4.72±0.10(Predicted)
• Flash Point: 97.517°C
• PSA: 43.84000
• Density: 1.174g/cm³
• LogP: 0.89190
• Storage Temp.: 2-8°C
• 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

1,4-Dimethyl-1H-pyrazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(N(N=C1)C)N

Technology Process of 1,4-Dimethyl-1H-pyrazol-5-amine

There total 4 articles about 1,4-Dimethyl-1H-pyrazol-5-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: 98.0%

1,4-dimethyl-5-nitropyrazole → 2,4-dimethyl-2H-pyrazol-3-ylamine (3524-49-0)

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: 42.0%

ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate (31037-02-2) → 2,4-dimethyl-2H-pyrazol-3-ylamine (3524-49-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 80 ℃; for 4h; Inert atmosphere;

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;

upstream raw materials:

2,3-dibromo-2-methylpropanenitrile

methylhydrazine

ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate

Downstream raw materials:

(S)-1-(1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1,4-dimethyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one