1-[3-(Trifluoromethyl)phenyl]pentane-2,4-dione

Base Information

• Chemical Name: 1-[3-(Trifluoromethyl)phenyl]pentane-2,4-dione
• CAS No.: 82129-51-9
• Molecular Formula: C₁₂H₁₁F₃O₂
• Molecular Weight: 244.213
• DSSTox Substance ID: DTXSID10527031
• Wikidata: Q82396112

Synonyms:1-[3-(Trifluoromethyl)phenyl]pentane-2,4-dione;82129-51-9;SCHEMBL11271901;DTXSID10527031;1-(3-trifluoromethylphenyl)-2,4-pentanedione

Chemical Property of 1-[3-(Trifluoromethyl)phenyl]pentane-2,4-dione

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 244.07111408
• Heavy Atom Count: 17
• Complexity: 297

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: CC(=O)CC(=O)CC1=CC(=CC=C1)C(F)(F)F

Technology Process of 1-[3-(Trifluoromethyl)phenyl]pentane-2,4-dione

There total 1 articles about 1-[3-(Trifluoromethyl)phenyl]pentane-2,4-dione 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:

ethyl 3-trifluoromethylphenylacetate (331-33-9) + acetone (67-64-1) → 1-(m-trifluoromethylphenyl)-pentan-2,4-dione (82129-51-9)

Guidance literature:

With sodium amide; In diethyl ether;

DOI:10.1021/jo01297a055

Reference yield:

1-(m-trifluoromethylphenyl)-pentan-2,4-dione (82129-51-9) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) + methylamine (74-89-5) → 3-acetyl-1-methyl-5-(α,α,α-trifluoro-m-tolyl)-4(1H)-pyridinone (82129-65-5)

Guidance literature:

In dichloromethane; water;

Reference yield:

1-(m-trifluoromethylphenyl)-pentan-2,4-dione (82129-51-9) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 3-dimethylaminomethylene-1-(3-trifluoromethylphenyl)-2,4-pentanedione

Guidance literature:

upstream raw materials:

ethyl 3-trifluoromethylphenylacetate

acetone

Downstream raw materials:

3-acetyl-1-methyl-5-(α,α,α-trifluoro-m-tolyl)-4(1H)-pyridinone

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