5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid

Base Information

• Chemical Name: 5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid
• CAS No.: 477712-02-0
• Molecular Formula: C₁₆H₁₀ClFN₂O₂
• Molecular Weight: 316.719
• DSSTox Substance ID: DTXSID801162952
• ChEMBL ID: CHEMBL1608353
• Mol file: 477712-02-0.mol

Synonyms:5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid;477712-02-0;5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic Acid;Oprea1_721033;MLS001166313;SCHEMBL4493013;CHEMBL1608353;DTXSID801162952;HMS2863M20;AKOS005093138;4N-578S;SMR000549905;5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylicacid

Chemical Property of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid

Chemical Property:

• Melting Point: 172.2 - 173.1 °C
• PSA: 55.12000
• LogP: 4.03000
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 316.0414834
• Heavy Atom Count: 22
• Complexity: 396

Purity/Quality:

5-(4-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)F)C(=O)O)Cl

Technology Process of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid

There total 1 articles about 5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-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:

5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid ethyl ester (1220524-63-9) → 5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid (477712-02-0)

Guidance literature:

5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid ethyl ester; With water; lithium hydroxide; In tetrahydrofuran; methanol; at 20 ℃; Inert atmosphere;

With hydrogenchloride; In water; ethyl acetate; pH=5; Inert atmosphere;

DOI:10.1016/j.ejmech.2009.12.042

Reference yield:

5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid (477712-02-0) → 1-(4-fluorophenyl)-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid [1-methyl-2-(4-pyrimidin-2-yl-piperazin-1-yl)-ethyl]-amide

Guidance literature:

Reference yield:

5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid (477712-02-0) → C16H9Cl2FN2O

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2009.12.042

upstream raw materials:

5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid ethyl ester

Downstream raw materials:

5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid amide

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