3-(3-Trifluoromethylphenyl)propionic acid

CAS NO.：585-50-2
Empirical Formula: C10H9F3O2
Molecular Weight: 218.17
MDL number: MFCD00090487
EINECS: 639-439-3
SAFETY DATA SHEET (SDS)
Update Date: 2024-11-29 14:36:51

What is 3-(3-Trifluoromethylphenyl)propionic acid?

Description

3-(3-Trifluoromethylphenyl)propionic acid is an important organic solvent with a mild, pleasant aroma, used as an efficient organic reagent in polymer production processes and as a co-catalyst for trifluoroacetic acid. It is used in biological research as a substrate for the synthesis of various compounds and for the study of enzyme-catalysed reactions. It is also used in the synthesis of cinacalcet. Cinacalcet is a drug used to treat chronic kidney disease (dialysis) and high levels of calcium in the blood (parathyroid disease).

Chemical properties

3-(3-Trifluoromethylphenyl)propionic acid has the appearance of a white or colourless to yellowish powder to a lumpy to clear liquid with a melting point of 35 °C and a boiling point of 149 °C/11 mmHg; store at room temperature.

The Uses of 3-(3-Trifluoromethylphenyl)propionic acid

3-(3-Trifluoromethylphenyl)propionic Acid can be used as catalysts.

The Uses of 3-(3-Trifluoromethylphenyl)propionic acid

3-(3-Trifluoromethylphenyl)propionic acid is used in the synthesis of Cinacalcet and also participates in the boron-catalyzed N-alkylation of amines of carboxylic acids.

Preparation

3-(3-Trifluoromethylphenyl)propionic acid is synthesised by the reaction of 3-trifluoromethylaniline and propionic acid.

Properties of 3-(3-Trifluoromethylphenyl)propionic acid

Melting point:	35°C(lit.)
Boiling point:	149°C/11mmHg(lit.)
Density	1.307±0.06 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
solubility	Chloroform (Slightly), Methanol (Slightly)
form	Oil
pka	4.56±0.10(Predicted)
color	Colourless
InChI	InChI=1S/C10H9F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-3,6H,4-5H2,(H,14,15)
CAS DataBase Reference	585-50-2(CAS DataBase Reference)

Safety information for 3-(3-Trifluoromethylphenyl)propionic acid

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.