4-Benzoyl-1-(4-nitrophenyl)-5-phenyl-1h-pyrazole-3-carbonyl chloride

Base Information

• Chemical Name: 4-Benzoyl-1-(4-nitrophenyl)-5-phenyl-1h-pyrazole-3-carbonyl chloride
• CAS No.: 658081-82-4
• Molecular Formula: C23H14ClN3O4
• Molecular Weight: 431.835
• DSSTox Substance ID: DTXSID90514520
• Wikidata: Q82374897

Synonyms:4-benzoyl-1-(4-nitrophenyl)-5-phenyl-1h-pyrazole-3-carbonyl chloride;658081-82-4;DTXSID90514520

Chemical Property of 4-Benzoyl-1-(4-nitrophenyl)-5-phenyl-1h-pyrazole-3-carbonyl chloride

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 431.0672836
• Heavy Atom Count: 31
• Complexity: 664

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)Cl)C(=O)C4=CC=CC=C4

Technology Process of 4-Benzoyl-1-(4-nitrophenyl)-5-phenyl-1h-pyrazole-3-carbonyl chloride

There total 3 articles about 4-Benzoyl-1-(4-nitrophenyl)-5-phenyl-1h-pyrazole-3-carbonyl chloride 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: 65.0%

4-benzoyl-1-(4-nitrophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid (658081-76-6) → 4-benzoyl-1-(4-nitrophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid chloride (658081-82-4)

Guidance literature:

With thionyl chloride; for 5h; Heating;

DOI:10.1023/B:COHC.0000046695.00178.79

Reference yield:

4-benzoyl-5-phenyl-furan-2,3-dione (17571-17-4) → 4-benzoyl-1-(4-nitrophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid chloride (658081-82-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 45 percent / 1.25 h / 100 - 110 °C / Heating

2: 65 percent / SOCl₂ / 5 h / Heating

With thionyl chloride;

DOI:10.1023/B:COHC.0000046695.00178.79

Reference yield:

benzaldehyde p-nitrophenylhydrazone (3078-09-9) → 4-benzoyl-1-(4-nitrophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid chloride (658081-82-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 45 percent / 1.25 h / 100 - 110 °C / Heating

2: 65 percent / SOCl₂ / 5 h / Heating

With thionyl chloride;

DOI:10.1023/B:COHC.0000046695.00178.79

upstream raw materials:

4-benzoyl-1-(4-nitrophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid

4-benzoyl-5-phenyl-furan-2,3-dione

benzaldehyde p-nitrophenylhydrazone

Downstream raw materials:

4-benzoyl-1-(4-nitrophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid N-p-tolylamide

4-benzoyl-1-(4-nitrophenyl)-5-phenyl-N-(2-{[(4-benzoyl-1-(4-nitrophenyl)-5-phenyl-1H-pyrazole-3-yl)carbonyl]amino}phenyl)-1H-pyrazole-3-carboxamide

4-benzoyl-1-(4-nitrophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid N-o-tolylamide

methyl 4-benzoyl-1-[4-nitrophenyl]-5-phenyl-1H-pyrazole-3-carboxylate

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