1-{4-[3-(Trifluoromethyl)phenoxy]phenyl}ethan-1-one

Base Information

• Chemical Name: 1-{4-[3-(Trifluoromethyl)phenoxy]phenyl}ethan-1-one
• CAS No.: 63349-66-6
• Molecular Formula: C15H11F3O2
• Molecular Weight: 280.246
• DSSTox Substance ID: DTXSID80501540
• Wikidata: Q82353982

Synonyms:63349-66-6;1-[4-[3-(Trifluoromethyl)phenoxy]phenyl]ethanone;1-{4-[3-(Trifluoromethyl)phenoxy]phenyl}ethan-1-one;Ethanone, 1-[4-[3-(trifluoromethyl)phenoxy]phenyl]-;SCHEMBL11071994;DTXSID80501540;4'-[3-(Trifluoromethyl)phenoxy]acetophenone;A1-05683;4'-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)acetophenone

Chemical Property of 1-{4-[3-(Trifluoromethyl)phenoxy]phenyl}ethan-1-one

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 280.07111408
• Heavy Atom Count: 20
• Complexity: 333

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)OC2=CC=CC(=C2)C(F)(F)F

Technology Process of 1-{4-[3-(Trifluoromethyl)phenoxy]phenyl}ethan-1-one

There total 3 articles about 1-{4-[3-(Trifluoromethyl)phenoxy]phenyl}ethan-1-one 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: 76.0%

3-Trifluoromethylphenol (98-17-9) + para-bromoacetophenone (99-90-1) → 1-(4-(3-(trifluoromethyl)phenoxy)phenyl)ethanone (63349-66-6)

Guidance literature:

With 2-Picolinic acid; potassium phosphate; copper(l) iodide; In dimethyl sulfoxide; at 110 ℃; for 10h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.6b01733

Reference yield:

3-Trifluoromethylphenol (98-17-9) + 1-(4-fluorophenyl)ethanone (403-42-9) → 1-(4-(3-(trifluoromethyl)phenoxy)phenyl)ethanone (63349-66-6)

Guidance literature:

With sodium hydroxide; potassium carbonate; In N,N-dimethyl acetamide; water;

Reference yield:

→ 1-(4-(3-(trifluoromethyl)phenoxy)phenyl)ethanone (63349-66-6)

Guidance literature:

p-Fluor-acetophenon, α,α,α-Trifluor-m-cresol;

upstream raw materials:

3-Trifluoromethylphenol

1-(4-fluorophenyl)ethanone

para-bromoacetophenone

Downstream raw materials:

methyl [p-(α,α,α-trifluoro-m-tolyloxy)phenyl]acetate

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