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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 84944Generated: October 27, 2026

Acrylonitrile → (E)-Methyl 3-(2-cyanovinyl)benzo[b]thiophene-2-carboxylate

https://huagongshe.com/reaction/84944

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcrylonitrileHCID 7855—
ReactantN-Methyl dicyclohexylamineHCID 24210—
ReactantTris(1,1-dimethylethyl)phosphineHCID 83681—
ReactantMethyl 3-bromobenzo[b]thiophene-2-carboxylateHCID 12238750—
CatalystBis(dibenzylideneacetone)palladiumHCID 9811564—
SolventTolueneHCID 1140—
SolventEthyl AcetateHCID 8857—
Solvent1,4-DioxaneHCID 31275—
Product(E)-Methyl 3-(2-cyanovinyl)benzo[b]thiophene-2-carboxylateHCID 86647799—

Reaction Conditions

Temperature50 °C

Reaction Steps

In a flask under nitrogen was placed tris(dibenzylideneacetone)dipalladium(0) (313 mg, 0.34 mmol) in 25 mL of 1,4-dioxane followed by the product obtained from Example 97A (4.5 g, 16.7 mmol), N-methyldicyclohexylamine (3.91 g, 20.0 mmol), tri-tert-butylphosphine (0.68 mL of a 1.0 M solution in toluene, 0.68 mmol) and acrylonitrile (1.06 g, 20.0 mmol). The mixture was stirred and heated at 50° C. under nitrogen for 90 minutes and then cooled and diluted with 100 mL of ethyl acetate and stirred for 15 minutes. The mixture was filtered and the precipitate washed with 25 mL of ethyl acetate. The filtrate was concentrated and worked up as described in Example 55B to afford the title compound. 1H NMR (300 MHz, DMSO-d6) δ ppm 3.92 (s, 3H) 6.55 (d, J=17.29 Hz, 1H) 7.54-7.66 (m, 2H) 8.13-8.25 (m, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08846951B2
Source datasetuspto-grants-2014_09
ORD IDord-fad7574bf7b346bd8d9f520537762d70
Source noteuspto-grants-2014_09