3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid

3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid - Names and Identifiers

Name	3-[o-(α,α,α-trifluorotolyl)]propionic acid
Synonyms	Cinacalcet Impurity 43 3-[2-(Trifluoromethyl)phenyl]p 2-(Trifluoromethyl)benzenepropanoic acid 3-[o-(α,α,α-trifluorotolyl)]propionic acid 3-[2-(Trifluoromethyl)phenyl]propionic acid 3-[2-(trifluoromethyl)phenyl]propanoic acid 3-[2-(Trifluoromethyl)phenyl]propanoic acid 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionicacid 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid 3-[O-(Alpha,Alpha,Alpha-Trifluorotolyl)]Propionic Acid 2-(2-Carboxyethyl)benzotrifluoride, 3-[2-(Trifluoromethyl)phenyl]propionic acid
CAS	94022-99-8
EINECS	301-594-7
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)
InChIKey	YTDVNFDGHHHPEE-UHFFFAOYSA-N

3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid - Physico-chemical Properties

Molecular Formula	C10H9F3O2
Molar Mass	218.17
Density	1.307±0.06 g/cm3(Predicted)
Melting Point	84-88°C
Boling Point	266.9±35.0 °C(Predicted)
Flash Point	115.2°C
Solubility	DMSO (Slightly), Methanol (Slightly)
Vapor Presure	0.00418mmHg at 25°C
Appearance	Solid
Color	White
pKa	4.53±0.10(Predicted)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.474
Use	This product is for scientific research only and shall not be used for other purposes.

3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid - Risk and Safety

Hazard Symbols	Xn - Harmful
Risk Codes	R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves.
WGK Germany	3
TSCA	Yes
HS Code	29163990
Hazard Note	Harmful

3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid - Introduction

3-[o-(α,α,α-trifluorotolyl)]propionic acid is an organic compound with the chemical formula C10H9F3O2.

Nature:
-Appearance: Colorless or white crystalline powder
-melting point: 78-82 ℃
-Boiling point: 344.4 ℃
-Density: 1.33g/cm³
-Solubility: Almost insoluble in water, soluble in organic solvents

Use:
- 3-[o-(α,α,α-trifluorotolyl)]propionic acid can be used as an intermediate for non-steroidal anti-inflammatory drugs and analgesics.
-It is often used in drug synthesis and the production of organic reagents.

Method:
3-[o-(α,α,α-trifluorotolyl)]propionic acid can be prepared by reacting fluorinated benzyl alcohol with bromopropionic acid. Specific steps include:
1. reacting benzyl alcohol with brominated sulfoxide to obtain trifluoromethyl anisole;
2. reacting trifluoromethyl anisole with cesium chloride in DMF solution to generate trifluoromethyl phenyl cesium chloride;
3. Trifluoromethylphenylcesium chloride reacts with sodium propionate in DMF solution to generate 3-[o-(α,α,α-trifluorotolyl)]propionic acid.

Safety Information:
3-[o-(α,α,α-trifluorotolyl)]propionic acid is an organic compound. Pay attention to the following matters when using it:
-The compound may be irritating to the eyes, respiratory system and skin. Use should wear suitable protective equipment to avoid contact with eyes, skin and respiratory tract.
-During operation, care should be taken to avoid inhaling aerosols or dust. It should be operated in a well-ventilated area and avoid contact with substances that may cause a fire.
- 3-[o-(α,α,α-trifluorotolyl)]propionic acid is a flammable substance and should be kept away from open flames and high temperatures.
-After invading the human body, measures should be taken in time to deal with it and seek medical treatment immediately.

Last Update：2024-04-09 02:00:49