94022-99-8

Basic information

• Product Name: 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid
• Synonyms: 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid;2-(Trifluoromethyl)benzenepropanoic acid;3-[2-(Trifluoromethyl)phenyl]propionic acid;3-[2-(Trifluoromethyl)phenyl]propanoic acid;3-[2-(Trifluoromethyl)phenyl]p;3-[2-(Trifluoromethyl)phenyl]propionic acid, JRD, 97%;2-(2-Carboxyethyl)benzotrifluoride, 3-[2-(Trifluoromethyl)phenyl]propionic acid
• CAS NO: 94022-99-8
• Molecular Formula: C₁₀H₉F₃O₂
• Molecular Weight: 218.17
• EINECS: 301-594-7
• Product Categories: C10;Carbonyl Compounds;Carboxylic Acids;Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks
• Mol File: 94022-99-8.mol
• Article Data: 7

Chemical Properties

• Melting Point: 84-88 °C
• Boiling Point: 266.9°Cat760mmHg
• Flash Point: 115.2°C
• Appearance: /
• Density: 1.307g/cm³
• Vapor Pressure: 0.00418mmHg at 25°C
• Refractive Index: 1.474
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 4.53±0.10(Predicted)
• CAS DataBase Reference: 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid(94022-99-8)
• EPA Substance Registry System: 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid(94022-99-8)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36/37
• WGK Germany: 3
• TSCA: Yes
• Hazardous Substances Data: 94022-99-8(Hazardous Substances Data)

Usage

Chemical Properties

White powder

Uses

3-?[2-?(Trifluoromethyl)?phenyl]?propionic Acid is a reactant used in the synthesis of small molecule inhibitors of anthrax toxin.

Definition

ChEBI: A monocarboxylic acid comprising propionic acid having a 2-(trifluoromethyl)phenyl group at the 3-position.

InChI:InChI=1/C10H9F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-4H,5-6H2,(H,14,15)

Upstream product

• 98386-81-3 (E)-3-(2-(trifluoromethyl)phenyl)acrylic acid 
• 64-18-6 formic acid 
• 447-61-0 2-Trifluoromethylbenzaldehyde 
• 395-45-9 o-(trifluoromethyl)styrene 
• 3984-22-3 2-vinyl-1,3-dioxolane 
• 392-83-6 o-trifluoromethylphenyl bromide 

Downstream Products

• 68755-42-0 4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-one 
• 191155-81-4 3-(2-(trifluoromethyl)phenyl)propan-1-ol 
• 1601369-99-6 3-bromo-5-methoxy-2-(2-(trifluoromethylphenyl)ethyl)cyclohexa-2,5-diene-1,4-dione 
• 808170-38-9 N-(2-benzoyl-4-nitrophenyl)-3-(2-trifluoromethylphenyl)propionic acid amide 
• 808169-99-5 N-(4-amino-2-benzoylphenyl)-3-(2-trifluoromethylphenyl)propionic acid amide 
• 557111-00-9 o-trifluoromethylphenylpropionic acid chloride 

Relevant articles and documents

Method for synthesizing phenylpropionic acid compounds through heterogeneous palladium metal catalysis

The invention discloses a method for synthesizing phenylpropionic acid compounds by heterogeneous catalysis. The method comprises the following steps: sequentially adding Pd@POL, toluene, styrene, formic acid and acetic anhydride into a reaction flask, stirring the reaction mixture at 80 DEG C to react, cooling the reaction solution to room temperature after the reaction is finished, diluting with dichloromethane, and transferring the solution into a separating funnel, washing with a sodium hydroxide solution, acidifying the water layer with a hydrochloric acid aqueous solution, extracting with dichloromethane, merging organic phases, drying with anhydrous sodium sulfate, and carrying out vacuum concentration to obtain the phenylpropionic acid compound. The method can remove heavy metal residues, is green and environment-friendly, is simple to operate and easy to implement, and the prepared phenylpropionic acid compound has a good application prospect.

A Ligand-Directed Catalytic Regioselective Hydrocarboxylation of Aryl Olefins with Pd and Formic Acid

An effective Pd-catalyzed hydrocarboxylation of aryl olefins with Ac2O and formic acid is described. A variety of 2- and 3-arylpropanoic acids can be regioselectively formed by the judicious choice of ligand without the use of toxic CO gas.

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.