1399075-98-9

Basic information

• Product Name: ethyl 4-oxo-3-phenyl-2,3,4,5,6,7-hexahydrobenzofuran-2-carboxylate
• Synonyms: ethyl 4-oxo-3-phenyl-2,3,4,5,6,7-hexahydrobenzofuran-2-carboxylate
• CAS NO: 1399075-98-9
• Molecular Weight: 286.328
• Mol File: 1399075-98-9.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: ethyl 4-oxo-3-phenyl-2,3,4,5,6,7-hexahydrobenzofuran-2-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 4-oxo-3-phenyl-2,3,4,5,6,7-hexahydrobenzofuran-2-carboxylate(1399075-98-9)
• EPA Substance Registry System: ethyl 4-oxo-3-phenyl-2,3,4,5,6,7-hexahydrobenzofuran-2-carboxylate(1399075-98-9)

Safety Data

• Hazardous Substances Data: 1399075-98-9(Hazardous Substances Data)

Upstream product

• 18315-80-5 ethyl α-nitrocinnamate 
• 504-02-9 1,3-cylohexanedione 

Relevant articles and documents

Comparison of Substituting Ability of Nitronate versus Enolate for Direct Substitution of a Nitro Group

α-Nitrocinnamate underwent the conjugate addition of an active methylene compound such as nitroacetate, 1,3-dicarbonyl compound, or α-nitroketone, and the following ring closure afforded functionalized heterocyclic frameworks. The reaction of cinnamate with nitroacetate occurs via nucleophilic substitution of a nitro group by the O-attack of the nitronate, which results in isoxazoline N-oxide. This protocol was applicable to 1,3-dicarbonyl compounds to afford dihydrofuran derivatives, including those derived from direct substitution of a nitro group caused by O-attack of enolate. It was found the reactivity was lowered by an electron-withdrawing group on the carbonyl moiety. When α-nitroketone was employed as a substrate, three kinds of products were possibly formed; of these, only isoxazoline N-oxide was identified. This result indicates that the substituting ability of nitronate is higher than that of enolate for the direct SN2 substitution of a nitro group.