4-(2-Benzoylvinyl)antipyrine

Base Information

• Chemical Name: 4-(2-Benzoylvinyl)antipyrine
• CAS No.: 15183-03-6
• Molecular Formula: C₂₀H₁₈N₂O₂
• Molecular Weight: 318.375
• Wikidata: Q76325404
• Mol file: 15183-03-6.mol

Synonyms:4-(2-Benzoylvinyl)antipyrine;BRN 0034623;ANTIPYRINE, 4-(2-BENZOYLVINYL)-;15183-03-6;1,5-dimethyl-4-[(E)-3-oxo-3-phenylprop-1-enyl]-2-phenylpyrazol-3-one;4-24-00-01721 (Beilstein Handbook Reference);LS-21372;Z336042352

Chemical Property of 4-(2-Benzoylvinyl)antipyrine

Chemical Property:

• Vapor Pressure: 8.39E-08mmHg at 25°C
• Boiling Point: 436°Cat760mmHg
• Flash Point: 179.6°C
• Density: 1.243g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 318.136827821
• Heavy Atom Count: 24
• Complexity: 552

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=CC(=O)C3=CC=CC=C3
• Isomeric SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=C/C(=O)C3=CC=CC=C3

Technology Process of 4-(2-Benzoylvinyl)antipyrine

There total 3 articles about 4-(2-Benzoylvinyl)antipyrine 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:

1,5-dimethyl-2-phenyl-4-(2,2,2-trichloro-1-hydroxy-ethyl)-1,2-dihydro-pyrazol-3-one (66379-85-9) → 1-<3-Oxo-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazolyl-(4)>-3-oxo-3-phenyl-propen-1 (15183-03-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous K₂CO₃

With potassium carbonate;

Reference yield:

4-formyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one (950-81-2) + acetophenone (98-86-2) → 1-<3-Oxo-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazolyl-(4)>-3-oxo-3-phenyl-propen-1 (15183-03-6)

Guidance literature:

Reference yield:

→ 1-<3-Oxo-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazolyl-(4)>-3-oxo-3-phenyl-propen-1 (15183-03-6)

Guidance literature:

1,5-Dimethyl-2-phenyl-3-oxo-4-formyl-1,2-dihydro-pyrazol, Acetophenon (1Mol)/Me., wss. NaOH;

DOI:10.1139/v68-324

upstream raw materials:

4-formyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one

acetophenone

1,5-dimethyl-2-phenyl-4-(2,2,2-trichloro-1-hydroxy-ethyl)-1,2-dihydro-pyrazol-3-one

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