1-(4-Chlorophenyl)-3-methyl-1h-pyrazole-5-carboxylic acid

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-3-methyl-1h-pyrazole-5-carboxylic acid
• CAS No.: 15943-84-7
• Molecular Formula: C11H9ClN2O2
• Molecular Weight: 236.658
• Hs Code.: 2933199090
• European Community (EC) Number: 674-458-0
• DSSTox Substance ID: DTXSID60377780
• Wikidata: Q82167137
• Mol file: 15943-84-7.mol

Synonyms:15943-84-7;1-(4-chlorophenyl)-3-methyl-1h-pyrazole-5-carboxylic acid;2-(4-Chloro-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid;2-(4-chlorophenyl)-5-methylpyrazole-3-carboxylic acid;1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylicacid;2-(4-chlorophenyl)-5-methyl-2h-pyrazole-3-carboxylic acid;SCHEMBL3288647;DTXSID60377780;MFCD05150585;AKOS017343801;FS-6475;CS-0324266;F70166

Chemical Property of 1-(4-Chlorophenyl)-3-methyl-1h-pyrazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.05E-07mmHg at 25°C
• Melting Point: 212-214 °C (decomp)(Solv: ethanol (64-17-5))
• Boiling Point: 408.8oC at 760 mmHg
• PKA: 3.31±0.36(Predicted)
• Flash Point: 201oC
• PSA: 55.12000
• Density: 1.38g/cm3
• LogP: 2.53230
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 236.0352552
• Heavy Atom Count: 16
• Complexity: 267

Purity/Quality:

98% ^*data from raw suppliers

2-(4-Chloro-phenyl)-5-methyl-2H-pyrazole-3-carboxylicacid 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1)C(=O)O)C2=CC=C(C=C2)Cl

Technology Process of 1-(4-Chlorophenyl)-3-methyl-1h-pyrazole-5-carboxylic acid

There total 5 articles about 1-(4-Chlorophenyl)-3-methyl-1h-pyrazole-5-carboxylic acid 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:

2-(4-chloro-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid ethyl ester (15943-83-6) → 1-(4-chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid (15943-84-7)

Guidance literature:

With water; sodium hydroxide; for 2h; Reflux;

DOI:10.3184/174751911X13149561530439

Reference yield:

ethyl 2,4-diketopentanoate (615-79-2) → 1-(4-chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid (15943-84-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ethanol / 1 h / 0 °C

1.2: 4 h / 20 °C

2.1: water; sodium hydroxide / 2 h / Reflux

With water; sodium hydroxide; In ethanol;

DOI:10.3184/174751911X13149561530439

Reference yield:

N-4-chlorophenylhydrazine (1073-69-4) → 1-(4-chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid (15943-84-7)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / 0 - 5 °C

2: hydrogenchloride / tetrahydrofuran; water / Reflux

3: sodium hydroxide; water / ethanol / 4 h / Reflux

With hydrogenchloride; water; sodium hydroxide; In tetrahydrofuran; ethanol; water;

DOI:10.3184/174751914X13955977912102

upstream raw materials:

ethyl 2,4-diketopentanoate

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

N-4-chlorophenylhydrazine

C₁₃H₁₅ClN₂O₃

Downstream raw materials:

1-(4-chlorophenyl)-3-methyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-5-carboxamide

2-(2-(5-fluorouracil-1-yl)acetamido)ethyl 1-(4-chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylate

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