191155-80-3

Basic information

• Product Name: 3-(2-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER
• Synonyms: 3-(2-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER;ethyl 3-(2-(trifluoroMethyl)phenyl)propanoate
• CAS NO: 191155-80-3
• Molecular Formula: C₁₂H₁₃F₃O₂
• Molecular Weight: 246.23
• Mol File: 191155-80-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 250.759°C at 760 mmHg
• Flash Point: 73.06°C
• Appearance: /
• Density: 1.179g/cm³
• Vapor Pressure: 0.021mmHg at 25°C
• Refractive Index: 1.453
• CAS DataBase Reference: 3-(2-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER(191155-80-3)
• EPA Substance Registry System: 3-(2-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER(191155-80-3)

Safety Data

• Hazardous Substances Data: 191155-80-3(Hazardous Substances Data)

Usage

General Description

3-(2-trifluoromethyl-phenyl)-propionic acid ethyl ester is a chemical compound with the molecular formula C12H13F3O2. It is a white solid substance with a melting point of 68-70°C. This chemical is commonly used as an intermediate in organic synthesis and pharmaceutical research. It is also utilized in the production of various drugs and active pharmaceutical ingredients. 3-(2-trifluoromethyl-phenyl)-propionic acid ethyl ester has numerous applications in medicinal chemistry and drug discovery, making it a valuable tool for the pharmaceutical industry.

InChI:InChI=1/C12H13F3O2/c1-2-17-11(16)8-7-9-5-3-4-6-10(9)12(13,14)15/h3-6H,2,7-8H2,1H3

Upstream product

• 376641-48-4 ethyl (2E)-3-(2-trifluoromethylphenyl)propenoate 
• 392-83-6 o-trifluoromethylphenyl bromide 
• 140-88-5 ethyl acrylate 
• 3054-95-3 acrylaldehyde diethyl acetal 

Downstream Products

• 191155-81-4 3-(2-(trifluoromethyl)phenyl)propan-1-ol 

Relevant articles and documents

6-Membered heterocyclic compound and use thereof

A compound represented by the general formula (I) or a salt thereof: [T represents oxygen atom and the like; V represents CH2 and the like; RO1 to RO4 represent hydrogen atom and the like; A represents a linear alkylene group or linear alkenylene group having 2 to 8 carbon atoms and the like; D represents carboxyl group and the like; X represents ethylene group, trimethylene group and the like; E represents —CH(OH)— group and the like; and W represent —U1—(RW1)(RW2)—U2—U3 group (U1 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; RW1 and RW2 represent hydrogen atom and the like; U2 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; and U3 represent an alkyl group having 1 to 8 carbon atoms and the like), or a residue of a carbon ring or heterocyclic compound], which can be utilized as an active ingredient of medicaments effective for prophylactic and/or therapeutic treatment of skeletal diseases such as osteoporosis and fracture, glaucoma, ulcerative colitis and the like.

Direct synthesis of 3-arylpropionic acids by tetraphosphine/palladium catalysed Heck reactions of aryl halides with acrolein ethylene acetal

Through the use of [PdCl(C3H5)]2/Cis,cis, cis-1,2,3,4-tetrakis(diphenylphosphinomethyl)cyclopentane as a catalyst, a range of aryl bromides undergoes Heck reaction with acrolein ethylene acetal. With this acetal, the selective formation of 3-arylpropionic acids/esters was observed. The functional group tolerance on the aryl halide is remarkable; substituents such as fluoro, methyl, methoxy, acetyl, formyl, benzoyl, nitro or nitrile are tolerated. Furthermore, this catalyst can be used at low loading, even for reactions of sterically hindered aryl bromides. Graphical Abstract.