5-amino-1-(2-aminophenyl)-1H-pyrazole-4-carbonitrile

Base Information

• Chemical Name: 5-amino-1-(2-aminophenyl)-1H-pyrazole-4-carbonitrile
• CAS No.: 87138-51-0
• Molecular Formula: C₁₀H₉N₅
• Molecular Weight: 199.215
• European Community (EC) Number: 846-550-2

Synonyms:5-amino-1-(2-aminophenyl)-1H-pyrazole-4-carbonitrile;87138-51-0;5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile;AKOS008119183;CS-0247282;EN300-36290;G26745;Z362807216

Chemical Property of 5-amino-1-(2-aminophenyl)-1H-pyrazole-4-carbonitrile

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 199.08579531
• Heavy Atom Count: 15
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N)N2C(=C(C=N2)C#N)N

Technology Process of 5-amino-1-(2-aminophenyl)-1H-pyrazole-4-carbonitrile

There total 2 articles about 5-amino-1-(2-aminophenyl)-1H-pyrazole-4-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: 68.0%

5-amino-1-(2-nitrophenyl)pyrazole-4-carbonitrile (65973-69-5) → 5-amino-1-(2-aminophenyl)-1H-pyrazole-4-carbonitrile (87138-51-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 0.75h; under 2585.7 Torr;

DOI:10.1002/jhet.5570200304

Reference yield:

(2-nitrophenyl)hydrazine (3034-19-3) → 5-amino-1-(2-aminophenyl)-1H-pyrazole-4-carbonitrile (87138-51-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / ethanol / 3 h / Heating

2: 68 percent / H₂ / 10percent Pd/C / ethanol / 0.75 h / 2585.7 Torr

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1002/jhet.5570200304

Reference yield: 11.0%

5-amino-1-(2-aminophenyl)-1H-pyrazole-4-carbonitrile (87138-51-0) + Triethyl orthopropionate (115-80-0) → 5-ethyl-6H-pyrazolo<2,3-a><1,3,5>benzotriazepine-3-carbonitrile (87121-51-5) + N-<4-cyano-1-((2-(1-ethoxy-1-propylidene)amino)phenyl)-1H-pyrazol-5-yl>propanimidic acid ethyl ester (87121-52-6)

Guidance literature:

for 80h; Heating;

DOI:10.1002/jhet.5570200304

upstream raw materials:

5-amino-1-(2-nitrophenyl)pyrazole-4-carbonitrile

(2-nitrophenyl)hydrazine

Downstream raw materials:

5-methyl-6H-pyrazolo<2,3-a><1,3,5>benzotriazepine-3-carbonitrile

N-<2-(5-amino-4-cyano-1H-pyrazol-1-yl)phenyl>ethanimidic acid ethyl ester

5-ethyl-6H-pyrazolo<2,3-a><1,3,5>benzotriazepine-3-carbonitrile

N-<4-cyano-1-((2-(1-ethoxy-1-propylidene)amino)phenyl)-1H-pyrazol-5-yl>propanimidic acid ethyl ester

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