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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1688840Generated: October 31, 2026

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

https://huagongshe.com/reaction/1688840

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantSodium hydrideHCID 24758—
ReactantEthyl 3-oxohexanoateHCID 238498—
Reactant4'-(Bromomethyl)-2'-methylbiphenyl-2-carbonitrileHCID 67010228—
SolventTetrahydrofuranHCID 8028—
ProductEthyl 2-[(2'-cyano-2-methylbiphenyl-4-yl)methyl]-3-oxohexanoateHCID 6701020870.2%

Reaction Steps

To a solution (15 mL) of 4′-(hydroxymethyl)-2′-methylbiphenyl-2-carbonitrile (4.12 g) in toluene was added phosphine tribromide (6.00 g) at room temperature, and the mixture was stirred at room temperature overnight. The reaction mixture was concentrated, and the residue was dissolved in ethyl acetate. The obtained ethyl acetate solution was washed with saturated aqueous sodium hydrogen carbonate and then with saturated brine, and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure, and the residue was purified by silica gel column chromatography to give the title compound as a pale-yellow oil (5.08 g, 96%). To a mixture of 60% sodium hydride in oil (1.10 g) and tetrahydrofuran (20 mL) was added dropwise a mixture of ethyl 3-oxohexanoate (5.62 g) in tetrahydrofuran (20 mL) at 0° C., and the mixture was stirred at room temperature for 30 min. Then, 4′-(bromomethyl)-2′-methylbiphenyl-2-carbonitrile (5.08 g) was added, and the mixture was stirred at room temperature overnight. The reaction mixture was poured into 1 M hydrochloric acid (50 mL), and the mixture was extracted with ethyl acetate. The ethyl acetate layer was washed with saturated brine, and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure, and the residue was purified by silica gel column chromatography to give the title compound as a colorless oil (4.53 g, 70%).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08148383B2
Source datasetuspto-grants-2012_04
ORD IDord-ef5cf0d635184ecaba0dfb639ba3cbab
Source noteuspto-grants-2012_04