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68718-08-1

68718-08-1 Structure

68718-08-1 Structure
IdentificationBack Directory
[Name]

2-(3-trifluoromethylphenyl)propionic acid
[CAS]

68718-08-1
[Synonyms]

2-(3-Trifluoromethylphenyl)propanoic acid
2-(3-trifluoromethylphenyl)propionic acid
α-Methyl-3-(trifluoromethyl)-benzeneacetic Acid
Benzeneacetic acid, α-methyl-3-(trifluoromethyl)-
[Molecular Formula]

C10H9F3O2
[MDL Number]

MFCD11036891
[MOL File]

68718-08-1.mol
[Molecular Weight]

218.17
Chemical PropertiesBack Directory
[Boiling point ]

249.6±35.0 °C(Predicted)
[density ]

1.301±0.06 g/cm3(Predicted)
[pka]

4.20±0.10(Predicted)
Safety DataBack Directory
[HS Code ]

2918999090
Hazard InformationBack Directory
[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).
2-(3-trifluoromethylphenyl)propionic acid
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