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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2193765Generated: October 31, 2026

Sodium Hydroxide → 4,4,4-Trifluoro-3-(phenylamino)butanoic acid

https://huagongshe.com/reaction/2193765

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium HydroxideHCID 14798—
ReactantDiethyl 2-(2,2,2-trifluoro-1-(phenylamino)ethyl)malonateHCID 12990241—
SolventEthanolHCID 702—
SolventWaterHCID 962—
Product4,4,4-Trifluoro-3-(phenylamino)butanoic acidHCID 1299024613.4%

Reaction Steps

A solution of compound 326 (2.16 g, 6.48 mmol) and sodium hydroxide (2.60 g, 64.8 mmol) in water (5.2 mL) and ethanol (26 mL) was stirred at room temperature for 24 h. The solvents were removed under reduced pressure leaving a white solid which was triturated in ether, isolated by filtration, rinsed with ether and dried under high vacuum. The white solid was dissolved in water (12 mL), and the solution was neutralized to pH 4 with a 3N HCl solution, extracted twice with EtOAc, the combined organic layers were dried over sodium sulfate and the solvent removed under reduced pressure. The solid was dissolved in dry toluene (20 mL), heated to reflux for 1 h with continuous stirring, and the solvent was removed under reduced pressure. The residue was purified by column chromatography on silica gel (eluent EtOAc-hexane, gradient 0:100 to 40:60) to afford title compound 327 (204 mg, 0.87 mmol, 13% yield) as a beige solid. 1H NMR (400 MHz, CDCl3) δ ppm: 7.24-7.18 (m, 2H), 6.82 (tt, J=7.2, 1.0 Hz, 1H), 6.75-6.71 (m, 2H), 4.55-4.45 (m, 1H), 2.89 (dd, J=16.0, 4.4 Hz, 1H), 2.67 (dd, J=16.0, 8.8 Hz, 1H). LRMS (M−1) 231.9 (100%).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08329726B2
Source datasetuspto-grants-2012_12
ORD IDord-9d55888dfcc74db8b08bccfdb42354be
Source noteuspto-grants-2012_12