3-(4-Chlorophenyl)-4-ethyl-1-methyl-1H-pyrazole-5-carboxylate

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-4-ethyl-1-methyl-1H-pyrazole-5-carboxylate
• CAS No.: 864426-87-9
• Molecular Formula: C13H13ClN2O2
• Molecular Weight: 264.711
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID20695492
• Wikidata: Q82624698

Synonyms:DTXSID20695492;3-(4-Chlorophenyl)-4-ethyl-1-methyl-1H-pyrazole-5-carboxylate

Chemical Property of 3-(4-Chlorophenyl)-4-ethyl-1-methyl-1H-pyrazole-5-carboxylate

Chemical Property:

• PSA: 57.95000
• LogP: 1.66640
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 263.0587303
• Heavy Atom Count: 18
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(N(N=C1C2=CC=C(C=C2)Cl)C)C(=O)[O-]

Technology Process of 3-(4-Chlorophenyl)-4-ethyl-1-methyl-1H-pyrazole-5-carboxylate

There total 4 articles about 3-(4-Chlorophenyl)-4-ethyl-1-methyl-1H-pyrazole-5-carboxylate 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: 78.0%

→ 1-methyl-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid ethyl ester (864426-87-9)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; for 0.166667h; Cooling with ice;

In N,N-dimethyl-formamide; for 0.166667h;

Reference yield: 71.0%

5-(4-chloro-phenyl)-2H-pyrazole-3-carboxylic acid ethyl ester (938182-43-5,595610-40-5) + dimethyl sulfate (77-78-1) → 1-methyl-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid ethyl ester (864426-87-9)

Guidance literature:

With sodium carbonate; In dichloromethane; at 40 ℃; for 24h; Reflux;

DOI:10.1016/j.ejmech.2017.11.098

Reference yield:

ethyl 4-chlorobenzoylpyruvate (5814-38-0) + methylhydrazine (60-34-4) → ethyl 5-(4-chlorophenyl)-1-methyl-1H-pyrazole-3-carboxylate (864426-88-0) + 1-methyl-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid ethyl ester (864426-87-9)

Guidance literature:

With trifluoroacetic acid; In ethanol; at 85 ℃; for 2h;

DOI:10.1039/c9nj05426j

upstream raw materials:

5-(4-chloro-phenyl)-2H-pyrazole-3-carboxylic acid ethyl ester

dimethyl sulfate

ethyl 4-chlorobenzoylpyruvate

methylhydrazine

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