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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1468535Generated: October 31, 2026

Isopropenyl acetate → HCID 66770339, compound

https://huagongshe.com/reaction/1468535

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 numberUS09000173B2
Source datasetuspto-grants-2015_04
ORD IDord-18eef46685214e45b1a68a984e907a34
Source noteuspto-grants-2015_04