5-amino-1-(2,6-dichlorophenyl)-1H-pyrazole-4-carbonitrile

Base Information

• Chemical Name: 5-amino-1-(2,6-dichlorophenyl)-1H-pyrazole-4-carbonitrile
• CAS No.: 792953-01-6
• Molecular Formula: C₁₀H₆Cl₂N₄
• Molecular Weight: 253.09
• DSSTox Substance ID: DTXSID501195186
• Mol file: 792953-01-6.mol

Synonyms:5-amino-1-(2,6-dichlorophenyl)-1H-pyrazole-4-carbonitrile;792953-01-6;5-AMINO-1-(2,6-DICHLOROPHENYL)PYRAZOLE-4-CARBONITRILE;1H-Pyrazole-4-carbonitrile, 5-amino-1-(2,6-dichlorophenyl)-;SCHEMBL838839;KVARRCNLKYNSJX-UHFFFAOYSA-N;DTXSID501195186;MFCD00128310;5-AMINO-1-(2,6-DICHLORO-PHENYL)-1H-PYRAZOLE-4-CARBONITRILE

Chemical Property of 5-amino-1-(2,6-dichlorophenyl)-1H-pyrazole-4-carbonitrile

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 251.9969516
• Heavy Atom Count: 16
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-amino-1-(2,6-dichlorophenyl)-1H-pyrazole-4-carbonitrile

There total 3 articles about 5-amino-1-(2,6-dichlorophenyl)-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: 83.0%

→ 5-amino-1-(2,6-dichlorophenyl)-1H-pyrazole-4-carbonitrile (792953-01-6)

Guidance literature:

Reference yield: 78.0%

(2,6-dichlorophenyl)hydrazine monohydrochloride (50709-36-9) + Ethoxymethylenemalononitrile (123-06-8) → 5-amino-1-(2,6-dichlorophenyl)-1H-pyrazole-4-carbonitrile (792953-01-6)

Guidance literature:

With sodium acetate; In ethanol; for 0.666667h; Reflux;

DOI:10.1590/s0103-50532011000200022

Reference yield:

Ethoxymethylenemalononitrile (123-06-8) + (2,6-dichlorophenyl)hydrazine (14763-24-7) → 5-amino-1-(2,6-dichlorophenyl)-1H-pyrazole-4-carbonitrile (792953-01-6)

Guidance literature:

(2,6-dichlorophenyl)hydrazine; With sodium acetate; In ethanol; for 0.5h; Reflux;

Ethoxymethylenemalononitrile; In ethanol; for 1h; Reflux;

DOI:10.1111/cbdd.12235

upstream raw materials:

(2,6-dichlorophenyl)hydrazine monohydrochloride

Ethoxymethylenemalononitrile

(2,6-dichlorophenyl)hydrazine

Downstream raw materials:

5-[5-amino-1-(2′,6′-dichlorophenyl)-1H-pyrazole-4-yl]-1H-tetrazole

1-(2,6-dichlorophenyl)-1H-pyrazole-4-carboximidamide

C₁₀H₅Cl₂N₃