1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, (E,Z)-

Base Information

• Chemical Name: 1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, (E,Z)-
• CAS No.: 42160-07-6
• Molecular Formula: C₁₉H₁₂F₆O
• Molecular Weight: 370.294
• DSSTox Substance ID: DTXSID50343792
• Mol file: 42160-07-6.mol

Synonyms:(1E,4E)-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one;103836-73-3;1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, (E,Z)-;DTXSID50343792;AKOS030228079;1,5-bis(trifluoro-p-tolyl)-1,4-pentadien-3-one;1,5-bis(alpha,alpha,alpha-trifluoro-p-tolyl)-1,4-pentadien-3-one

Chemical Property of 1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, (E,Z)-

Chemical Property:

• Vapor Pressure: 1.12E-06mmHg at 25°C
• Melting Point: 153 - 155 °C
• Boiling Point: 402.2°C at 760 mmHg
• Flash Point: 153.1°C
• PSA: 17.07000
• Density: 1.322g/cm³
• LogP: 6.01990
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 370.07923397
• Heavy Atom Count: 26
• Complexity: 469

Purity/Quality:

97% ^*data from raw suppliers

1,5-Bis(4-(trifluoromethyl)phenyl)penta-1,4-dien-3-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C=CC2=CC=C(C=C2)C(F)(F)F)C(F)(F)F

Technology Process of 1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, (E,Z)-

There total 3 articles about 1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, (E,Z)- 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: 91.3%

4-Trifluoromethylbenzaldehyde (455-19-6) + acetone (67-64-1) → 1,5-bis(4-trifluoromethylphenyl)-1,4-pentadiene-3-one (103836-71-1,103836-73-3,103836-74-4,42160-07-6)

Guidance literature:

With tri-n-octylammonium bromide; sodium hydroxide; In cyclohexane; for 3h; Reflux; Inert atmosphere;

Reference yield: 77.0%

4-Trifluoromethylbenzaldehyde (455-19-6) + acetone (67-64-1) → 1,5-bis(4-trifluoromethylphenyl)-1,4-pentadiene-3-one (103836-71-1,103836-73-3,103836-74-4,42160-07-6) + 4-(4-trifluoromethylphenyl)but-3-en-2-one (80992-93-4)

Guidance literature:

With piperidine; silica gel; In neat (no solvent); at 120 ℃; for 8h;

DOI:10.1016/j.tetlet.2019.06.030

Reference yield:

→ 1,5-bis(4-trifluoromethylphenyl)-1,4-pentadiene-3-one (103836-71-1,103836-73-3,103836-74-4,42160-07-6)

Guidance literature:

α,α,α-Trifluor-p-tolualdehyd, Aceton;

upstream raw materials:

4-Trifluoromethylbenzaldehyde

acetone

Downstream raw materials:

(2S,6S)-4-oxo-2,6-bis(4-(trifluoromethyl)phenyl)cyclohexane-1,1-dicarbonitrile

ethyl (2R,6R)-2',4-dioxo-2,6-bis(4-(trifluoromethyl)phenyl)spiro[cyclohexane-1,3'-indoline]-1'-carboxylate

C₂₇H₁₉F₆NO₂

1,5-bis[4-(trifluoromethyl)phenyl]-3-pentanone

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