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

Base Information

• Chemical Name: 2-Propen-1-one, 3-phenyl-1-[3-(trifluoromethyl)phenyl]-
• CAS No.: 819792-52-4
• Molecular Formula: C16H11F3O
• Molecular Weight: 276.258
• DSSTox Substance ID: DTXSID70403488

Synonyms:2-Propen-1-one, 3-phenyl-1-[3-(trifluoromethyl)phenyl]-;819792-52-4;3'-trifluoromethylchalcone;DTXSID70403488;PBGSCTPDAVCTBJ-UHFFFAOYSA-N;AKOS017085819;3-Phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one

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

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 276.07619946
• Heavy Atom Count: 20
• Complexity: 353

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

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

There total 1 articles about 2-Propen-1-one, 3-phenyl-1-[3-(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:

cinnamoyl chloride (102-92-1,17082-09-6) + (meta-(trifluoromethyl)phenyl)boronic acid (1423-26-3) → 1-(3-trifluoromethylphenyl)-3-phenylprop-2-en-1-one (819792-52-4)

Guidance literature:

With potassium phosphate; bis-triphenylphosphine-palladium(II) chloride; In toluene; at 70 ℃;

DOI:10.1016/j.bmcl.2008.03.083

Reference yield: 88.0%

1-(3-trifluoromethylphenyl)-3-phenylprop-2-en-1-one (819792-52-4) + phenyl isothiocyanate (103-72-0) → (3,4-diphenyl-2-thioxo-2,3-dihydrothiazol-5-yl)(3-(trifluoromethyl)phenyl)methanone

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; sulfur; In dimethyl sulfoxide; at 80 ℃; for 16h; Sealed tube;

DOI:10.1021/acs.orglett.1c01653

Reference yield: 55.0%

2-aminopyridine (504-29-0) + 1-(3-trifluoromethylphenyl)-3-phenylprop-2-en-1-one (819792-52-4) → (2-phenylimidazo[1,2-a]pyridin-3-yl)(3-(trifluoromethyl)phenyl)methanone

Guidance literature:

With tin dioxide; iodine; In toluene; at 110 ℃; for 12h;

DOI:10.1016/j.tetlet.2020.152250

upstream raw materials:

cinnamoyl chloride

(meta-(trifluoromethyl)phenyl)boronic acid

Downstream raw materials:

C₁₇H₁₄F₃N₃S

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