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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1890247Generated: October 25, 2026

Potassium Fluoride → 4'-Cyano-6-methyl-biphenyl-3-carboxylic acid methyl ester

https://huagongshe.com/reaction/1890247

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPotassium FluorideHCID 522689—
Reactant2-(Dicyclohexylphosphino)biphenylHCID 2734216—
Reactant4-Cyanophenylboronic acidHCID 2734326—
ReactantMethyl 3-iodo-4-methylbenzoateHCID 13614033—
Catalystpalladium(II) acetateHCID 167845—
Solvent1,4-DioxaneHCID 31275—
Product4'-Cyano-6-methyl-biphenyl-3-carboxylic acid methyl esterHCID 59436707—

Reaction Conditions

Temperature130 °C

Reaction Steps

To a round-bottom flask containing 3-iodo-4-methyl-benzoic acid methyl ester (1.38 g, 5.00 mmol), 4-cyanophenylboronic acid (1.10 g, 7.48 mmol), palladium acetate (168 mg, 0.748 mmol), 2-(dicyclohexylphosphino)biphenyl (0.526 g, 1.50 mmol) and potassium fluoride (0.870 g, 15.0 mmol) is added anhydrous 1,4-dioxane (15 ml). The flask is purged with argon and sealed. The mixture is stirred at 130° C. for 18 hours, cooled to ambient temperature and then water (20 ml) and ethyl acetate (20 ml) are added. Solid is removed under vacuum filtration. The filtrate is extracted with EtOAc (20 ml×2). The organic layers are combined, washed with aqueous HCl (5%, 20 ml) and saturated NaHCO3 (20 ml). It is dried over MgSO4, and concentrated. The residue is purified by silica gel column chromatography (EtOAc/Hexane, gradient) to give 4′-cyano-6-methyl-biphenyl-3-carboxylic acid methyl ester 2; LC-MS m/z: 252.1 (M+1).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08507471B2
Source datasetuspto-grants-2013_08
ORD IDord-9fb35076daf64d09989fbff917a15964
Source noteuspto-grants-2013_08