2-oxo-3-[3-(trifluoromethyl)phenyl]propanoic Acid

Base Information

• Chemical Name: 2-oxo-3-[3-(trifluoromethyl)phenyl]propanoic Acid
• CAS No.: 120658-70-0
• Molecular Formula: C₁₀H₇F₃O₃
• Molecular Weight: 232.159
• DSSTox Substance ID: DTXSID601247396
• Mol file: 120658-70-0.mol

Synonyms:120658-70-0;3-Trifluoromethyl-a-oxo-benzenepropanoic acid;2-oxo-3-[3-(trifluoromethyl)phenyl]propanoic Acid;2-OXO-3-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID;SCHEMBL2164148;DTXSID601247396;ARJ103205;AKOS000146886;3-Trifluoromethyl-a-oxo-benzenepropanoicacid;CS-0338750;3-(trifluoromethyl)a-oxo-benzenepropanoic acid;C92172;alpha-Oxo-3-(trifluoromethyl)benzenepropanoic acid

Chemical Property of 2-oxo-3-[3-(trifluoromethyl)phenyl]propanoic Acid

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 232.03472857
• Heavy Atom Count: 16
• Complexity: 286

Purity/Quality:

98%min ^*data from raw suppliers

2-OXO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-oxo-3-[3-(trifluoromethyl)phenyl]propanoic Acid

There total 5 articles about 2-oxo-3-[3-(trifluoromethyl)phenyl]propanoic 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: 75.1%

5-(3-trifluoromethylbenzylidene)imidazoline-2,4-dione (76605-42-0) → 2-oxo-m-trifluoromethyl-3-phenylpropionic acid (120658-70-0)

Guidance literature:

With water; sodium hydroxide; at 105 ℃; for 2h;

Reference yield: 73.0%

(Z,E)-2-acetylamino-3-(3-trifluoromethyl-phenyl)-acrylic acid (3094-33-5) → 2-oxo-m-trifluoromethyl-3-phenylpropionic acid (120658-70-0)

Guidance literature:

With hydrogenchloride; for 3h; Heating;

DOI:10.1246/bcsj.63.1925

Reference yield: 40.0%

→ 2-oxo-m-trifluoromethyl-3-phenylpropionic acid (120658-70-0)

Guidance literature:

upstream raw materials:

(Z,E)-2-acetylamino-3-(3-trifluoromethyl-phenyl)-acrylic acid

(Z)-2-methyl-4-[3-(trifluoromethyl)benzylidene]-5(4H)-oxazolone

3-Trifluoromethylbenzaldehyde

5-(3-trifluoromethylbenzylidene)imidazoline-2,4-dione

Downstream raw materials:

3-methyl-2-oxo-3-(3-trifluoromethyl-phenyl)-butyric acid

cinacalcet

cinacalcet hydrochloride

(E)-2-methoxy-5-(3-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-3-oxoprop-1-en-1-yl)phenyl 2-(3-(trifluoromethyl)phenyl)acetate