1H-Pyrazole-3-carbonyl chloride, 4-benzoyl-1,5-diphenyl-

Base Information

• Chemical Name: 1H-Pyrazole-3-carbonyl chloride, 4-benzoyl-1,5-diphenyl-
• CAS No.: 188724-74-5
• Molecular Formula: C23H15ClN2O2
• Molecular Weight: 386.837
• DSSTox Substance ID: DTXSID00442603
• Nikkaji Number: J809.612K
• Mol file: 188724-74-5.mol

Synonyms:188724-74-5;1H-Pyrazole-3-carbonyl chloride, 4-benzoyl-1,5-diphenyl-;DTXSID00442603;1,5-Diphenyl-4-benzoyl-1H-pyrazole-3-carbonyl chloride

Chemical Property of 1H-Pyrazole-3-carbonyl chloride, 4-benzoyl-1,5-diphenyl-

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 386.0822054
• Heavy Atom Count: 28
• Complexity: 551

Purity/Quality:

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=CC=C3)C(=O)Cl)C(=O)C4=CC=CC=C4

Technology Process of 1H-Pyrazole-3-carbonyl chloride, 4-benzoyl-1,5-diphenyl-

There total 1 articles about 1H-Pyrazole-3-carbonyl chloride, 4-benzoyl-1,5-diphenyl- 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: 48.0%

4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carboxylic acid (106230-15-3) → 4-benzoyl-1,5-diphenyl-1H-3-pyrazole carboxylic acid chloride (188724-74-5)

Guidance literature:

With thionyl chloride; for 3h; Heating;

DOI:10.1002/jhet.5570340133

Reference yield: 86.0%

potassium thioacyanate (333-20-0) + 4-benzoyl-1,5-diphenyl-1H-3-pyrazole carboxylic acid chloride (188724-74-5) + sulphaacetamide (144-80-9) → N-((4-(N-acetylsulfamoyl)phenyl)carbamothioyl)-4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carboxamide

Guidance literature:

potassium thioacyanate; 4-benzoyl-1,5-diphenyl-1H-3-pyrazole carboxylic acid chloride; In acetone; for 0.5h; Reflux;

sulphaacetamide; In acetone; for 2h; Reflux;

DOI:10.1016/j.molstruc.2019.127479

Reference yield: 82.0%

Sulfathiazole (72-14-0) + potassium thioacyanate (333-20-0) + 4-benzoyl-1,5-diphenyl-1H-3-pyrazole carboxylic acid chloride (188724-74-5) → 4-benzoyl-1,5-diphenyl-N-((4-(N-(thiazol-2-yl)sulfamoyl)phenyl)carbamothioyl)-1H-pyrazole-3-carboxamide

Guidance literature:

potassium thioacyanate; 4-benzoyl-1,5-diphenyl-1H-3-pyrazole carboxylic acid chloride; In acetone; for 0.5h; Reflux;

Sulfathiazole; In acetone; for 2h; Reflux;

DOI:10.1016/j.molstruc.2019.127479

upstream raw materials:

4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carboxylic acid

Downstream raw materials:

4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carboxylic acid i-pentyl ester

N-(4-methylphenyl)-4-benzoyl-1,5-diphenyl-1H-3-pyrazolecarboxamide

2,3,4,6-tetraphenyl-2H-pyrazolo<3,4-d>pyridazin-7(6H)-one

4-benzoyl-1,5-diphenylpyrazole-3-carboxylic amide