1-(3-Chloro-4-fluorophenyl)-3-phenyl-1,3-propanedione

Base Information

• Chemical Name: 1-(3-Chloro-4-fluorophenyl)-3-phenyl-1,3-propanedione
• CAS No.: 38448-97-4
• Molecular Formula: C₁₅H₁₀ClFO₂
• Molecular Weight: 276.695
• DSSTox Substance ID: DTXSID701212089

Synonyms:38448-97-4;1-(3-Chloro-4-fluorophenyl)-3-phenyl-1,3-propanedione;DTXSID701212089

Chemical Property of 1-(3-Chloro-4-fluorophenyl)-3-phenyl-1,3-propanedione

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 276.0353354
• Heavy Atom Count: 19
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Chloro-4-fluorophenyl)-3-phenyl-1,3-propanedione

There total 1 articles about 1-(3-Chloro-4-fluorophenyl)-3-phenyl-1,3-propanedione 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:

benzoic acid ethyl ester (93-89-0,99341-95-4) + 3-chloro-4-fluoroacetophenone (2923-66-2) → 1-(3-chloro-4-fluorophenyl)-3-phenylpropane-1,3-dione (38448-97-4)

Guidance literature:

With sodium amide; In diethyl ether;

Reference yield: 81.0%

3-amino-1-phenyl-5-pyrazolone (28710-97-6) + 1-(3-chloro-4-fluorophenyl)-3-phenylpropane-1,3-dione (38448-97-4) → 7-(3-Chloro-4-fluoro-phenyl)-1,5-diphenyl-pyrazolo[1,5-a]pyrimidin-2-one

Guidance literature:

In acetic acid; for 0.166667h; Heating;

Reference yield:

1-(3-chloro-4-fluorophenyl)-3-phenylpropane-1,3-dione (38448-97-4) + 3-diazo-4-phenylpyrazolium chloride → (Z)-3-(3-Chloro-4-fluoro-phenyl)-3-hydroxy-1-phenyl-2-(4-phenyl-2H-pyrazol-3-ylazo)-propenone

Guidance literature:

With sodium acetate; In methanol; water; at 5 ℃; for 24h;

upstream raw materials:

benzoic acid ethyl ester

3-chloro-4-fluoroacetophenone

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