2-(3-trifluoromethylphenyl)propionic acid Property

Boiling point:

249.6±35.0 °C(Predicted)

Density 

1.301±0.06 g/cm3(Predicted)

pka

4.20±0.10(Predicted)

Safety

HS Code 

2918999090

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H318Causes serious eye damage

H335May cause respiratory irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P310Immediately call a POISON CENTER or doctor/physician.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P501Dispose of contents/container to..…

2-(3-trifluoromethylphenyl)propionic acid Chemical Properties,Usage,Production

Synthesis

A solution of 3-(trifluoromethyl)phenylacetic acid (ALDRICH, 300 mg, 1 .470 mmol) in THF (2 mL) was added dropwise to a solution of lithium diisopropylamide, 2M solution in heptane/THF/ethylbenzene (ALDRICH, 2.94 mL, 5.88 mmol) in THF (5 mL) at -78 °C. After 1 h at -78 °C, methyl iodide (ALDRICH, 0.735 mL, 1 1.76 mmol) was added, and the solution was stirred for 1 hour. The mixture was hydrolyzed with 2N HCI until acidic pH was reached, extracted with DCM, dried over MgS04, filtered, and dried under vacuum to produce a crude. It was purified by flash column chromatography using hexane/EtOAc 85/15 to 0/100 to give 2-(3-trifluoromethylphenyl)propionic acid (304 mg, 1.39 mmol, 95% yield).