5-Amino-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile

Base Information

• Chemical Name: 5-Amino-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile
• CAS No.: 852313-93-0
• Molecular Formula: C12H12N4
• Molecular Weight: 212.254
• European Community (EC) Number: 958-083-2
• DSSTox Substance ID: DTXSID30471345
• Nikkaji Number: J2.548.293J
• Wikidata: Q72436330
• Mol file: 852313-93-0.mol

Synonyms:5-AMINO-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOLE-4-CARBONITRILE;852313-93-0;5-amino-1-(2,4-dimethylphenyl)pyrazole-4-carbonitrile;SCHEMBL6264926;DTXSID30471345;CJB31393;MFCD03407395;AKOS001438840;FT-0748226;EN300-298021;Z55148880

Chemical Property of 5-Amino-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile

Chemical Property:

• PSA: 67.63000
• Density: 1.20
• LogP: 2.52418
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 212.106196400
• Heavy Atom Count: 16
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

5-amino-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)N2C(=C(C=N2)C#N)N)C

Technology Process of 5-Amino-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile

There total 1 articles about 5-Amino-1-(2,4-dimethylphenyl)-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: 77.0%

Ethoxymethylenemalononitrile (123-06-8) + (2,4-dimethylphenyl)hydrazine (615-00-9) → 5-amino-1-(2,4-dimethyl-phenyl)-1H-pyrazole-4-carbonitrile (852313-93-0)

Guidance literature:

In ethanol; at 105 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1016/j.bmcl.2008.08.087

Reference yield: 95.0%

5-amino-1-(2,4-dimethyl-phenyl)-1H-pyrazole-4-carbonitrile (852313-93-0) → 5-amino-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxamide (852313-94-1)

Guidance literature:

With sulfuric acid; water; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2008.08.087

Reference yield: 84.0%

2-chloroethyl isothiocyanate (1943-83-5) + 5-amino-1-(2,4-dimethyl-phenyl)-1H-pyrazole-4-carbonitrile (852313-93-0) → C15H15N5O (1452871-27-0)

Guidance literature:

2-chloroethyl isothiocyanate; 5-amino-1-(2,4-dimethyl-phenyl)-1H-pyrazole-4-carbonitrile; With copper diacetate; at 80 ℃; for 0.0833333h;

With caesium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 0.0833333h; Molecular sieve;

DOI:10.1039/c3ob41146j

upstream raw materials:

Ethoxymethylenemalononitrile

(2,4-dimethylphenyl)hydrazine

Downstream raw materials:

1-(2,4-dimethyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine

5-amino-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxamide

C₁₅H₁₅N₅O

C₁₆H₁₇N₅O

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