3,3,3-trifluoro-2-phenylpropanoic acid

Base Information

• Chemical Name: 3,3,3-trifluoro-2-phenylpropanoic acid
• CAS No.: 56539-85-6
• Molecular Formula: C9H7F3O2
• Molecular Weight: 204.149
• Mol file: 56539-85-6.mol

Synonyms:

Chemical Property of 3,3,3-trifluoro-2-phenylpropanoic acid

Chemical Property:

• Vapor Pressure: 0.0223mmHg at 25°C
• Boiling Point: 239.1°C at 760 mmHg
• Flash Point: 98.4°C
• Density: 1.356g/cm³

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,3,3-trifluoro-2-phenylpropanoic acid

There total 19 articles about 3,3,3-trifluoro-2-phenylpropanoic 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: 87.0%

carbon dioxide (124-38-9,18923-20-1) + 2',2'-difluorostyrene (405-42-5) → α-(trifluoromethyl)-phenylacetic acid (56539-85-6)

Guidance literature:

With cesium fluoride; In dimethyl sulfoxide; at 30 ℃; for 18h; under 15201 Torr; Inert atmosphere; Autoclave;

DOI:10.1002/anie.201902779

Reference yield: 86.0%

α-(Trifluoromethyl)phenylacetamide (175401-24-8) → α-(trifluoromethyl)-phenylacetic acid (56539-85-6)

Guidance literature:

With sulfuric acid; at 120 ℃; for 1h;

DOI:10.1016/0022-1139(95)03338-6

Reference yield: 73.0%

ethyl 3,3,3-trifluoro-2-phenylpropionate (90784-42-2) → α-(trifluoromethyl)-phenylacetic acid (56539-85-6)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 30h; Heating;

DOI:10.1016/0022-1139(95)03338-6

upstream raw materials:

1,1,3,3,3-pentafluoro-2-phenylpropene

3,3,3-trifluoro-2-phenylpropionaldehyde

ethyl 3,3,3-trifluoro-2-phenylpropionate

α-(Trifluoromethyl)phenylacetamide

Downstream raw materials:

4-Ethoxy-5-phenyl-6-chloromethylpyrimidine

4-Chloromethyl-6-fluoro-5-phenyl-pyrimidine

1-Chloro-4,4,4-trifluoro-3-phenyl-butan-2-one

1-methoxy-4-(3,3,3-trifluoro-2-phenylpropionyl)-benzene

Refernces

• 1、 Yamauchi, Yusuke,Hara, Shoji,Senboku, Hisanori. "Synthesis of 2-aryl-3,3,3-trifluoropropanoic acids using electrochemical carboxylation of (1-bromo-2,2,2-trifluoroethyl)arenes and its application to the synthesis of β,β,β-trifluorinated non-steroidal anti-inflammatory drugs". experimental part. p. 473 - 479. Retrieved 2010/03/24.
• 2、 Yamazaki, Yoshimitsu,Yusa, Shiro,Kageyama, Yu-Ichi,Tsue, Hirohito,Hirao, Ken-Ichi,Okuno, Hiroaki. "Effect of fluorine substitution of α-and β-hydrogen atoms in ethyl phenylacetate and phenylpropionate on their stereoselective hydrolysis by cultured cancer cells". . p. 167 - 171. Retrieved 2007/10/03.