4-Amino-1H-pyrazole-3-carbonitrile

Base Information

• Chemical Name: 4-Amino-1H-pyrazole-3-carbonitrile
• CAS No.: 68703-67-3
• Molecular Formula: C4H4N4
• Molecular Weight: 108.103
• Hs Code.: 2933199090
• European Community (EC) Number: 960-962-0
• DSSTox Substance ID: DTXSID60483835
• Mol file: 68703-67-3.mol

Synonyms:4-Amino-1H-pyrazole-3-carbonitrile;68703-67-3;4-Amino-1H-pyrazole-5-carbonitrile;1H-Pyrazole-3-Carbonitrile, 4-Amino-;4-Aminopyrazole-5-carbonitrile;1H-PYRAZOLE-3-CARBONITRILE,4-AMINO-;aminocyanopyrazole;4-amino-5-cyanopyrazole;SCHEMBL1723546;DTXSID60483835;PKRKJRIVVOGXHM-UHFFFAOYSA-N;AMY40036;BCP23762;MFCD00619110;AKOS006332740;AKOS022174313;AB04584;CS-W019204;AS-62819;EN300-309484;Y10582;A866995;Z2658868521

Chemical Property of 4-Amino-1H-pyrazole-3-carbonitrile

Chemical Property:

• PSA: 78.49000
• LogP: 0.44478
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 108.043596145
• Heavy Atom Count: 8
• Complexity: 123

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-Amino-1H-pyrazole-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NNC(=C1N)C#N

Technology Process of 4-Amino-1H-pyrazole-3-carbonitrile

There total 3 articles about 4-Amino-1H-pyrazole-3-carbonitrile 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: 90.0%

4-nitro-1H-pyrazole-3-carbonitrile (61241-07-4) → 4-amino-1H-pyrazole-3-carbonitrile (68703-67-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; for 24h; under 1551.49 Torr;

DOI:10.1016/j.bmc.2016.04.048

Reference yield:

4-Nitro-1H-5-pyrazolecarbonitrile (61241-07-4) → 4-amino-1H-pyrazole-5-carbonitrile (68703-67-3)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; for 18h; under 2585.81 Torr;

Reference yield:

→ 4-amino-1H-pyrazole-3-carbonitrile (68703-67-3)

Guidance literature:

4-Nitroverb., H2, Pd;

upstream raw materials:

4-nitro-1H-pyrazole-3-carbonitrile

4-Nitro-1H-5-pyrazolecarbonitrile

Downstream raw materials:

7-aminopyrazolo<4,3-d>pyrimidine

Refernces

• 1、 -. "Pyrazole-pyrimido imidazole compound as well as preparation method and application thereof". Paragraph 0055-0057. . Retrieved 2020/04/22.
• 2、 -. "Kinase inhibitors". Page 28. . Retrieved 2010/02/03.