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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2387889Generated: October 26, 2026

Dicyclohexylamine → Methyl 2-(5-(cyanomethyl)-2-methoxybenzyl)-3-oxobutanoate

https://huagongshe.com/reaction/2387889

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDicyclohexylamineHCID 7582—
ReactantDimethylacetamideHCID 31374—
Reactant3-Bromo-4-methoxyphenylacetonitrileHCID 522655—
ReactantMethyl 3-hydroxy-2-methylen-butanoatHCID 5080248—
CatalystTetrabutylammonium chloride hydrateHCID 16212273—
SolventEthyl AcetateHCID 8857—
ProductMethyl 2-(5-(cyanomethyl)-2-methoxybenzyl)-3-oxobutanoateHCID 68414744—

Reaction Conditions

Temperature80 °C

Reaction Steps

N,N-dimethylacetamide (200 mL) was added to Pd-118 (1.009 g) and tetrabutylammonium chloride hydrate (0.916 g), followed by 2-(3-bromo-4-methoxyphenyl)acetonitrile (7 g). Methyl 3-hydroxy-2-methylenebutyrate (5.64 mL) and dicyclohexylamine (9.25 mL) were added and the solution was heated at 80° C. for 3 days. The reaction mixture was diluted with EtOAc (200 mL) and extracted with water. The organic phase was dried, filtered and evaporated under reduced pressure. The crude product was purified by chromatography to afford the subtitle compound as an orange oil, 5.01 g.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08268990B2
Source datasetuspto-grants-2012_09
ORD IDord-87f79c11dcb0413c9a2d40cb32f6394f
Source noteuspto-grants-2012_09