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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 887034Generated: October 31, 2026

Potassium Carbonate → Ethyl 4-oxobutanoate

https://huagongshe.com/reaction/887034

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPotassium CarbonateHCID 11430—
ReactantBenzenesulfonateHCID 91526—
Reactant4-[4-(3-Chloropropoxy)-3,5-difluorophenyl]-4-oxo-butyric acid ethyl esterHCID 59651888—
CatalystSodium IodideHCID 5238—
SolventAcetonitrileHCID 6342—
ProductEthyl 4-oxobutanoateHCID 82395204.7%

Reaction Steps

A mixture of 4-[4-(3-chloropropoxy)-3,5-difluorophenyl]-4-oxo-butyric acid ethyl ester (5 g, 14.9 mmol), K2CO3 (7.2 g, 52.1 mmol), NaI (220 mg, 1.4 mmol), and Benzenesulfonate; (R)-methylpyrrolidinium (8 g, 33 mmol) in CH3CN (110 mL) was heated under argon at 80° C. for 36 h. The reaction was concentrated and partitioned between saturated aqueous sodium bicarbonate solution and methylene chloride. The aqueous layer was extracted twice with methylene chloride and the combined organics was washed with brine, dried (Na2SO4), filtered, and concentrated to provide a crude material (96% purity). The crude material was purified by ISCO (80 g silica gel column) chromatography using 2% to 9% methanol in methylene chloride to 10% methanol containing 0.1% ammonium hydroxide in methylene chloride. The isolated material was dissolved in methylene chloride and washed with saturated aqueous sodium bicarbonate solution, brine, dried (Na2SO4), filtered, and concentrated. The isolated material was crystallized with a mixture of methylene chloride, ether and hexane to obtain 4-{3,5-difluoro-4[3-(R)-2-methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-4-oxo-butyric acid ethyl ester (3.97 g, 70%, 99% purity), MS m/z=384 (M+H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08247414B2
Source datasetuspto-grants-2012_08
ORD IDord-d67b9fbc71284d18b9b992a54e6f85e0
Source noteuspto-grants-2012_08