3-(3-(Trifluoromethoxy)phenyl)propanoic acid

Base Information

• Chemical Name: 3-(3-(Trifluoromethoxy)phenyl)propanoic acid
• CAS No.: 168833-77-0
• Molecular Formula: C10H9F3O3
• Molecular Weight: 234.175
• Hs Code.: 2918990090
• European Community (EC) Number: 681-417-0
• DSSTox Substance ID: DTXSID80380453
• Wikidata: Q82170682
• Mol file: 168833-77-0.mol

Synonyms:168833-77-0;3-(3-(Trifluoromethoxy)phenyl)propanoic acid;3-(TRIFLUOROMETHOXY)HYDROCINNAMIC ACID;3-[3-(trifluoromethoxy)phenyl]propanoic Acid;3-[3-(TRIFLUOROMETHOXY)PHENYL]PROPIONIC ACID;Benzenepropanoic acid,3-(trifluoromethoxy)-;SCHEMBL1271844;AMY3865;DTXSID80380453;MFCD01317834;AKOS009157671;PS-7670;AC-10090;3-(3-(Trifluoromethoxy)phenyl)propanoicacid;3-(TRIFLUOROMETHOXY)HYDROCINNAMICACID;CS-0084803;FT-0659155;3-(3-trifluoromethoxy-phenyl) propionic acid;3-(3-Trifluoromethoxy-phenyl)-propionic acid;A811027;3-[3-(trifluoromethoxy)phenyl]propanoic acid, AldrichCPR

Chemical Property of 3-(3-(Trifluoromethoxy)phenyl)propanoic acid

Chemical Property:

• Melting Point: -32°C
• Boiling Point: 276.9 °C at 760 mmHg
• Flash Point: 121.2 °C
• PSA: 46.53000
• Density: 1.347 g/cm³
• LogP: 2.60240
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 234.05037863
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

3-(Trifluoromethoxy)hydrocinnamicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xn
• Hazard Codes: C,Xn
• Statements: 36/37/38-43-36-22
• Safety Statements: 26-36-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(3-(Trifluoromethoxy)phenyl)propanoic acid

There total 7 articles about 3-(3-(Trifluoromethoxy)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:

ethyl 3-(3-(trifluoromethoxy)phenyl)propanoate (179381-93-2) → 3-(3-(trifluoromethoxy)phenyl)propanoic acid (168833-77-0)

Guidance literature:

With water; lithium hydroxide; In ethanol; at 15 ℃; for 2h;

Reference yield:

(E)-3-(trifluoromethoxy)cinnamic acid (175675-63-5) → 3-(3-(trifluoromethoxy)phenyl)propanoic acid (168833-77-0)

Guidance literature:

palladium-carbon; In ethanol;

Reference yield:

3-trifluoromethoxycinnamic acid (168833-80-5) → 3-(3-(trifluoromethoxy)phenyl)propanoic acid (168833-77-0)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In ethyl acetate; at 20 ℃; for 18h; under 1500.15 Torr;

upstream raw materials:

3-trifluoromethoxycinnamic acid

methyl 3-(3-trifluoromethoxyphenyl)propionate

(E)-3-(trifluoromethoxy)cinnamic acid

3-(trifluoromethoxy)benzaldehyde

Downstream raw materials:

5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-one

Refernces

• 1、 -. "GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE". . . Retrieved 2019/07/17.
• 2、 -. "Saturated and unsaturated 3-pyridyl-benzocycloalkylmethyl-amines for use in treating pain, depression and/or anxiety". . . Retrieved 2008/06/13.