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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2048642Generated: October 31, 2026

Hydrochloric Acid → Ethyl 2-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-3-oxohexanoate

https://huagongshe.com/reaction/2048642

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantSodium hydrideHCID 24758—
ReactantEthyl 3-oxohexanoateHCID 238498—
Reactant4'-(Bromomethyl)-3'-fluorobiphenyl-2-carbonitrileHCID 57460074—
Solvent(Trifluoromethyl)benzeneHCID 7368—
SolventTetrahydrofuranHCID 8028—
ProductEthyl 2-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-3-oxohexanoateHCID 5746094976%

Reaction Steps

To a suspension of sodium hydride (60% in oil, 25 g) in tetrahydrofuran (750 mL) was added dropwise a solution of ethyl 3-oxohexanoate (164 g) in tetrahydrofuran (250 mL) at 0° C. The reaction mixture was stirred at room temperature for 1 hr, and a solution of 4′-(bromomethyl)-3′-fluorobiphenyl-2-carbonitrile in benzotrifluoride above mentioned was added at 0° C. The reaction mixture was further stirred at room temperature for 16 hr, and added to 1 M hydrochloric acid (1.0 L), and the obtained mixture was concentrated under reduced pressure. The obtained mixture was extracted with ethyl acetate, and the obtained extract was washed with saturated brine and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure and the obtained residue was purified by silica gel column chromatography to give the title compound as a colorless oil (145 g, 76%).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08592431B2
Source datasetuspto-grants-2013_11
ORD IDord-7dae2db40e954d50834b602c692e20df
Source noteuspto-grants-2013_11