4-(Trifluoromethyl)phenyl(3-butenyl) ketone

Base Information

• Chemical Name: 4-(Trifluoromethyl)phenyl(3-butenyl) ketone
• CAS No.: 53342-47-5
• Molecular Formula: C₁₂H₁₁F₃O
• Molecular Weight: 228.214
• DSSTox Substance ID: DTXSID401255733
• Nikkaji Number: J2.309.421E

Synonyms:4-(Trifluoromethyl)phenyl(3-butenyl) ketone;QIBCEWBPIZGQTG-UHFFFAOYSA-N;DTXSID401255733;53342-47-5;1-(4-(trifluoromethyl)phenyl)pent-4-en-1-one;1-[4-(Trifluoromethyl)phenyl]-4-penten-1-one

Chemical Property of 4-(Trifluoromethyl)phenyl(3-butenyl) ketone

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 228.07619946
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-(Trifluoromethyl)phenyl(3-butenyl) ketone

There total 8 articles about 4-(Trifluoromethyl)phenyl(3-butenyl) ketone 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: 62.0%

4-iodobut-1-ene (7766-51-0) + carbon dioxide (124-38-9,18923-20-1) + p-trifluoromethylphenyl bromide (402-43-7) → 1-(4-(trifluoromethyl)phenyl)pent-4-en-1-one (53342-47-5)

Guidance literature:

p-trifluoromethylphenyl bromide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

With [2,2]bipyridinyl; (-)-menthol; In tetrahydrofuran; hexane; Inert atmosphere;

4-iodobut-1-ene; carbon dioxide; Further stages;

DOI:10.1002/anie.201405014

Reference yield: 60.0%

2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone (383-53-9) + potassium trifluoro(prop-1-en-2-yl)borate → 1-(4-(trifluoromethyl)phenyl)pent-4-en-1-one (53342-47-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; eosin y; In methanol; at 20 ℃; Irradiation;

DOI:10.1021/acscatal.7b01120

Reference yield:

p-trifluoromethyl-δ-chlorovalerophenone (343968-74-1) → 1-(4-trifluoromethylphenyl)ethanone (709-63-7) + 1-(4-(trifluoromethyl)phenyl)pent-4-en-1-one (53342-47-5)

Guidance literature:

In benzene; at 25 ℃; Mechanism; Quantum yield; Irradiation; further solvents;

DOI:10.1021/ja00403a036

upstream raw materials:

p-trifluoromethyl-δ-chlorovalerophenone

4-iodobut-1-ene

carbon dioxide

p-trifluoromethylphenyl bromide

Downstream raw materials:

1-(trifluoromethyl)-4-<1-(dideuteriomethylene)-4-pentenyl>benzene

2-[4-(trifluoromethyl)phenyl]hex-5-en-2-ol

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