1-[4-(4-Trifluoromethoxyphenoxy)phenyl]ethanone

Base Information

• Chemical Name: 1-[4-(4-Trifluoromethoxyphenoxy)phenyl]ethanone
• CAS No.: 887575-25-9
• Molecular Formula: C₁₅H₁₁F₃O₃
• Molecular Weight: 296.246
• DSSTox Substance ID: DTXSID20695119
• Wikidata: Q82624159
• Mol file: 887575-25-9.mol

Synonyms:887575-25-9;1-[4-(4-trifluoromethoxyphenoxy)phenyl]ethanone;DTXSID20695119;LEUJORVNEHJZRF-UHFFFAOYSA-N;1-{4-[4-(Trifluoromethoxy)phenoxy]phenyl}ethan-1-one

Chemical Property of 1-[4-(4-Trifluoromethoxyphenoxy)phenyl]ethanone

Chemical Property:

• PSA: 35.53000
• LogP: 4.58010
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 296.06602869
• Heavy Atom Count: 21
• Complexity: 341

Purity/Quality:

1-[4-(4-trifluoromethoxy-phenoxy)-phenyl]-ethanone 95 ^*data from reagent 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=C(C=C2)OC(F)(F)F

Technology Process of 1-[4-(4-Trifluoromethoxyphenoxy)phenyl]ethanone

There total 2 articles about 1-[4-(4-Trifluoromethoxyphenoxy)phenyl]ethanone 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: 95.0%

4-Trifluoromethoxyphenol (828-27-3) + 1-(4-fluorophenyl)ethanone (403-42-9) → 1-(4-(4-(trifluoromethoxy)phenoxy)phenyl)ethan-1-one (887575-25-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 175 ℃; for 5h;

DOI:10.1021/acs.jmedchem.9b00638

Reference yield: 84.0%

4-Trifluoromethoxyphenol (828-27-3) + para-bromoacetophenone (99-90-1) → 1-(4-(4-(trifluoromethoxy)phenoxy)phenyl)ethan-1-one (887575-25-9)

Guidance literature:

With 2-Picolinic acid; potassium phosphate; copper(l) iodide; In dimethyl sulfoxide; at 110 ℃; for 20h; Inert atmosphere;

Reference yield:

1-(4-(4-(trifluoromethoxy)phenoxy)phenyl)ethan-1-one (887575-25-9) → 4-oxo-2-(4-(4-(trifluoromethoxy)phenoxy)phenyl)-1,4-dihydroquinoline-3-carbohydrazide

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydride / 10 h / Reflux

2: sodium hydride / N,N-dimethyl-formamide / 8 h / 80 °C / Inert atmosphere

3: hydrazine hydrate / 4 h / Reflux

With sodium hydride; hydrazine hydrate; In N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.6b01733

upstream raw materials:

4-Trifluoromethoxyphenol

para-bromoacetophenone

1-(4-fluorophenyl)ethanone