2-Propen-1-one, 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-

Base Information

• Chemical Name: 2-Propen-1-one, 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-
• CAS No.: 680215-14-9
• Molecular Formula: C16H10F4O
• Molecular Weight: 294.248
• DSSTox Substance ID: DTXSID20381787

Synonyms:2-Propen-1-one, 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-;680215-14-9;DTXSID20381787;FLUPBLPNHLWRLJ-UHFFFAOYSA-N;AKOS030691951

Chemical Property of 2-Propen-1-one, 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 294.06677759
• Heavy Atom Count: 21
• Complexity: 372

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: C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)F)C(F)(F)F

Technology Process of 2-Propen-1-one, 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-

There total 2 articles about 2-Propen-1-one, 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]- 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: 98.0%

1-(4-trifluoromethylphenyl)ethanone (709-63-7) + 4-fluorobenzaldehyde (459-57-4) → 1-(4-fluorophenyl)-3-(4-(trifluoromethyl)phenyl)prop-2-en-1-one (680215-14-9)

Guidance literature:

With potassium hydroxide; In water; isopropyl alcohol; at 75 - 135 ℃; for 0.00972222h; Temperature; Reagent/catalyst;

Reference yield: 85.0%

4-Trifluoromethylbenzaldehyde (455-19-6) + 1-(4-fluorophenyl)ethanone (403-42-9) → 1-(4-fluorophenyl)-3-(4-(trifluoromethyl)phenyl)prop-2-en-1-one (680215-14-9)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃; Cooling with ice;

DOI:10.1016/j.bioorg.2020.104527

Reference yield: 90.0%

1-(4-fluorophenyl)-3-(4-(trifluoromethyl)phenyl)prop-2-en-1-one (680215-14-9) + (trifluoromethyl)trimethylsilane (81290-20-2) → [1-(4-fluorophenyl)-1-trifluoromethyl-3-(4-trifluoromethylphenyl)allyloxy]trimethylsilane

Guidance literature:

With caesium carbonate; In dichloromethane; at 20 ℃;

DOI:10.3390/molecules22050769

upstream raw materials:

4-Trifluoromethylbenzaldehyde

1-(4-fluorophenyl)ethanone

1-(4-trifluoromethylphenyl)ethanone

4-fluorobenzaldehyde

Downstream raw materials:

(4-fluorophenyl)(2-(2-nitrophenyl)-5-(4-(trifluoromethyl)phenyl)-2H-1,2,3-triazol-4-yl)methanone

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