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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1055343Generated: November 1, 2026

Isopropenyl acetate → HCID 66770339, compound

https://huagongshe.com/reaction/1055343

Reaction equation

Participants

RoleNameHCIDCharge
ReactantIsopropenyl acetateHCID 7916—
Reactant(3-Bromophenyl)acetonitrileHCID 36023—
ReactantPotassium FluorideHCID 522689—
ReactantMethoxytri-n-butylstannaneHCID 11964040—
Catalyst2-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenylHCID 2734217—
CatalystBis(dibenzylideneacetone)palladiumHCID 9811564—
SolventWaterHCID 962—
SolventTolueneHCID 1140—
SolventEthyl AcetateHCID 8857—
SolventSodium chloride; waterHCID 57417360—
ProductHCID 66770339HCID 6677033969.1%

Reaction Steps

A stirred solution of 3-bromophenylacetonitrile (10.0 g, 51.0 mmol), tributyltin methoxide (17.6 mL, 61.2 mmol), tris(dibenzylideneacetone)dipalladium(0) (500 mg, 0.5 mmol), isopropenyl acetate (6.74 mL, 61.2 mmol) and 2-dicyclohexylphosphino-2′-(N,N-dimethylamino)biphenyl (800 mg, 2 mmol) in toluene (100 mL, degassed) was heated at 100° C. under nitrogen for 6 h. The reaction mixture was cooled to room temperature and EtOAc (30 mL) was added. A solution of potassium fluoride (10 g, 200 mmol) in water (52 mL) was then added and the resulting mixture was stirred overnight. Brine was added and the mixture was filtered through a pad of Celite. The layers were separated and the organic layer was dried over sodium sulfate, filtered (cotton plug) and concentrated under reduced pressure. The residue was purified by silica gel chromatography (0-30% EtOAc in hexanes) to give the title compound (6.1 g, 69% yield) as a brown oil.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09394275B2
Source datasetuspto-grants-2016_07
ORD IDord-9e3e0b921091445f947ac942e159c66d
Source noteuspto-grants-2016_07