4-Oxo-4-(4-trifluoromethylphenyl)butyric acid

Base Information

• Chemical Name: 4-Oxo-4-(4-trifluoromethylphenyl)butyric acid
• CAS No.: 58457-56-0
• Molecular Formula: C₁₁H₉F₃O₃
• Molecular Weight: 246.186
• Hs Code.: 2918300090
• European Community (EC) Number: 894-706-3
• DSSTox Substance ID: DTXSID90598229
• Wikidata: Q82493959
• Mol file: 58457-56-0.mol

Synonyms:4-OXO-4-(4-TRIFLUOROMETHYLPHENYL)BUTYRIC ACID;58457-56-0;4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid;MFCD02260921;SCHEMBL5060636;DTXSID90598229;XBTRBFQQDDYMFC-UHFFFAOYSA-N;AKOS005216826;DB-295512;EN300-114463;A903872;4-OXO-4-(4-TRIFLUOROMETHYLPHENYL)BUTYRICACID;Z838955740

Chemical Property of 4-Oxo-4-(4-trifluoromethylphenyl)butyric acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 376.08°C at 760 mmHg
• Flash Point: 181.247°C
• PSA: 54.37000
• Density: 1.352g/cm³
• LogP: 2.75290
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 246.05037863
• Heavy Atom Count: 17
• Complexity: 291

Purity/Quality:

97% ^*data from raw suppliers

4-Oxo-4-(4-trifluoromethylphenyl)butyricacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Oxo-4-(4-trifluoromethylphenyl)butyric acid

There total 3 articles about 4-Oxo-4-(4-trifluoromethylphenyl)butyric acid 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:

succinic acid anhydride (108-30-5) + C7H4F3IMg (492448-47-2) → 4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid (58457-56-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 0.5h;

Reference yield:

succinic acid anhydride (108-30-5) + p-trifluoromethylphenyl bromide (402-43-7) → 4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid (58457-56-0)

Guidance literature:

p-trifluoromethylphenyl bromide; With iodine; magnesium; In tetrahydrofuran; for 1h; Inert atmosphere; Reflux;

succinic acid anhydride; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1002/chem.201806057

Reference yield:

p-trifluoromethylphenyl bromide (402-43-7) → 4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid (58457-56-0)

Guidance literature:

Multi-step reaction with 2 steps

1: magnesium; iodine / tetrahydrofuran / 0.5 h / 20 - 60 °C

2: tetrahydrofuran / 0.5 h / 20 °C

With iodine; magnesium; In tetrahydrofuran;

upstream raw materials:

succinic acid anhydride

C₇H₄F₃IMg

p-trifluoromethylphenyl bromide

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 58457-56-0 4-OXO-4-(4-TRIFLUOROMETHYLPHENYL)BUTYRIC ACID

Send

Send

Metric Ton KG G Pound L ML

Send

Send