1-[3-(Trifluoromethyl)phenyl]pent-4-en-1-one

Base Information

• Chemical Name: 1-[3-(Trifluoromethyl)phenyl]pent-4-en-1-one
• CAS No.: 125996-99-8
• Molecular Formula: C12H11F3O
• Molecular Weight: 228.214
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID00562774
• Nikkaji Number: J2.309.423A
• Wikidata: Q82447051
• Mol file: 125996-99-8.mol

Synonyms:1-[3-(Trifluoromethyl)phenyl]pent-4-en-1-one;125996-99-8;1-(3-(Trifluoromethyl)phenyl)pent-4-en-1-one;DTXSID00562774;AKOS013637453;BS-20064;CS-0210387;4-Penten-1-one, 1-[3-(trifluoromethyl)phenyl]-

Chemical Property of 1-[3-(Trifluoromethyl)phenyl]pent-4-en-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 3.85430
• 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: 258

Purity/Quality:

99% ^*data from raw suppliers

1-[3-(Trifluoromethyl)phenyl]pent-4-en-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[3-(Trifluoromethyl)phenyl]pent-4-en-1-one

There total 3 articles about 1-[3-(Trifluoromethyl)phenyl]pent-4-en-1-one 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: 77.0%

1-(3-Trifluoromethyl-phenyl)-pent-4-en-1-ol (125997-11-7) → 1-(3-(trifluoromethyl)phenyl)pent-4-en-1-one (125996-99-8)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 23 ℃; for 4h;

Reference yield: 62.0%

allyl bromide (106-95-6) + 3'-(trifluoromethyl)acetophenone (349-76-8) → 1-(3-(trifluoromethyl)phenyl)pent-4-en-1-one (125996-99-8)

Guidance literature:

3'-(trifluoromethyl)acetophenone; With potassium hydride; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

With triethyl borane; In tetrahydrofuran; at 15 - 20 ℃; for 0.5h; Inert atmosphere;

allyl bromide; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1021/jacs.1c01797

Reference yield:

3-Trifluoromethylbenzaldehyde (454-89-7) → 1-(3-(trifluoromethyl)phenyl)pent-4-en-1-one (125996-99-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / tetrahydrofuran / 5 h / 23 °C

2: 77 percent / pyridinium chlorochromate (PCC) / CH₂Cl₂ / 4 h / 23 °C

With pyridinium chlorochromate; In tetrahydrofuran; dichloromethane;

upstream raw materials:

1-(3-Trifluoromethyl-phenyl)-pent-4-en-1-ol

3-Trifluoromethylbenzaldehyde

allyl bromide

3'-(trifluoromethyl)acetophenone

Downstream raw materials:

C₁₃H₁₁⁽²⁾H₂F₃

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 125996-99-8 1-[3-(TrifluoroMethyl)phenyl]pent-4-en-1-one

Send

Send

Metric Ton KG G Pound L ML

Send

Send