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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1186868Generated: November 4, 2026

Potassium Carbonate → Ethyl 4-oxobutanoate

https://huagongshe.com/reaction/1186868

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 numberUS08673916B2
Source datasetuspto-grants-2014_03
ORD IDord-90fea238deb44bff9ab30b30dd0433b3
Source noteuspto-grants-2014_03