HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1468535Generated: October 31, 2026
Isopropenyl acetate → HCID 66770339, compound
https://huagongshe.com/reaction/1468535
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Isopropenyl acetate | HCID 7916 | — |
| Reactant | (3-Bromophenyl)acetonitrile | HCID 36023 | — |
| Reactant | Potassium Fluoride | HCID 522689 | — |
| Reactant | Methoxytri-n-butylstannane | HCID 11964040 | — |
| Catalyst | 2-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenyl | HCID 2734217 | — |
| Catalyst | Bis(dibenzylideneacetone)palladium | HCID 9811564 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Toluene | HCID 1140 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Solvent | Sodium chloride; water | HCID 57417360 | — |
| Product | HCID 66770339 | HCID 66770339 | 69.1% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US09000173B2 |
|---|
| Source dataset | uspto-grants-2015_04 |
|---|
| ORD ID | ord-18eef46685214e45b1a68a984e907a34 |
|---|
| Source note | uspto-grants-2015_04 |
|---|