53473-36-2

Basic information

• Product Name: 4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID
• Synonyms: 4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID;3-(4-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID;3-[4-(TRIFLUOROMETHYL)PHENYL]PROPIONIC ACID;4-(Trifluoromethyl)HydrocinnamicAcid/P-(Trifluoromethyl)PhenylpropionicAcid/P-(Trifluoromethylphenyl)PropionicAcid;4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID 95%;P-Trifluoromethyl benzylacetic acid;4-(TRIFLUOROMETHYL)PHENYLPROPIONIC ACID;4-(Trifluoromethyl)hydrocinnamic acid,95%
• CAS NO: 53473-36-2
• Molecular Formula: C₁₀H₉F₃O₂
• Molecular Weight: 218.17
• EINECS: 258-599-1
• Product Categories: Acids and Derivatives;Fluorine series
• Mol File: 53473-36-2.mol
• Article Data: 22

Chemical Properties

• Melting Point: 106-110 °C(lit.)
• Boiling Point: 0°C
• Flash Point: 0°C
• Appearance: White to light brown/Crystalline Powder or Solid
• Density: 1.307 g/cm³
• Vapor Pressure: 0.00197mmHg at 25°C
• Refractive Index: 1.474
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 4.54±0.10(Predicted)
• CAS DataBase Reference: 4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID(53473-36-2)
• EPA Substance Registry System: 4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID(53473-36-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 53473-36-2(Hazardous Substances Data)

Usage

Chemical Properties

White to pale yellow crystalline powder

Uses

4-(Trifluoromethyl)hydrocinnamic Acid acts as a reagent in the synthesis of (poly)fluorinated neprilysin inhibitor. It is also applied in pesticides, medicines, dyes and in functional materials preparation because of it’s excellent bioactive properties.

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

Upstream product

• 3984-22-3 2-vinyl-1,3-dioxolane 
• 402-43-7 p-trifluoromethylphenyl bromide 
• 16642-92-5 4-(trifluoromethyl)cinnamic acid 
• 402-50-6 1-trifluoromethyl-4-vinyl-benzene 
• 124-38-9 carbon dioxide 
• 3495-36-1 cesium formate 
• 292638-85-8 acrylic acid methyl ester 
• 201230-82-2 carbon monoxide 
• 128796-39-4 4-trifluoromethylphenylboronic acid 
• 79-10-7 acrylic acid 
• 455-19-6 4-Trifluoromethylbenzaldehyde 
• 923977-13-3 2,2-dimethyl-5-(4-trifluoromethyl-benzyl)-[1,3]dioxane-4,6-dione 
• 2062-26-2 3-<4'-(trifluoromethyl)phenyl>-2-propenoic acid 
• 64-18-6 formic acid 

Downstream Products

• 351014-62-5 vinyl 3-[4-(trifluoromethyl)phenyl]propanoate 
• 603998-97-6 2,2-dimethyl-5-{3-[4-(trifluoromethyl)phenyl]propanoyl}-1,3-dioxane-4,6-dione 
• 910534-74-6 N-(3-fluoro-4-(methylsulfonamido)benzyl)-3-(4-(trifluoromethyl)phenyl)propanamide 
• 1174936-28-7 C₂₁H₂₂F₃N₃OS 
• 910534-97-3 (Z)-3-(4-tert-butylphenyl)-2-fluoro-N-[3-fluoro-4-(methylsulfonamido)benzyl]but-2-enamide 
• 1601370-01-7 3-bromo-5-methoxy-2-((4-trifluoromethylphenyl)ethyl)cyclohexa-2,5-diene-1,4-dione 
• 1260112-53-5 1-(4-(naphthalen-2-ylsulfonyl)piperazin-1-yl)-3-(4-(trifluoromethyl)phenyl)propan-1-one 
• 113170-92-6 1-(but-3-en-1-yl)-4-(trifluoromethyl)benzene 

Relevant articles and documents

Photoredox Activation of Formate Salts: Hydrocarboxylation of Alkenes via Carboxyl Group Transfer

A photoredox activation mode of formate salts for carboxylation was developed. Using a formate salt as the reductant, carbonyl source, and hydrogen atom transfer reagent, a wide range of alkenes can be converted into acid products via a carboxyl group tra

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.

Harnessing Applied Potential: Selective β-Hydrocarboxylation of Substituted Olefins

The construction of carboxylic acid compounds in a selective fashion from low value materials such as alkenes remains a long-standing challenge to synthetic chemists. In particular, β-addition to styrenes is underdeveloped. Herein we report a new electrosynthetic approach to the selective hydrocarboxylation of alkenes that overcomes the limitations of current transition metal and photochemical approaches. The reported method allows unprecedented direct access to carboxylic acids derived from β,β-trisubstituted alkenes, in a highly regioselective manner.