1384518-99-3

Basic information

• Product Name: (3Z,4E)-ethyl 3-(2-ethoxy-2-oxoethylidene)-7-phenyl-2,3-dihydrobenzo[b]oxepine-4-carboxylate
• Synonyms: (3Z,4E)-ethyl 3-(2-ethoxy-2-oxoethylidene)-7-phenyl-2,3-dihydrobenzo[b]oxepine-4-carboxylate
• CAS NO: 1384518-99-3
• Molecular Weight: 378.425
• Mol File: 1384518-99-3.mol

Chemical Properties

• CAS DataBase Reference: (3Z,4E)-ethyl 3-(2-ethoxy-2-oxoethylidene)-7-phenyl-2,3-dihydrobenzo[b]oxepine-4-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: (3Z,4E)-ethyl 3-(2-ethoxy-2-oxoethylidene)-7-phenyl-2,3-dihydrobenzo[b]oxepine-4-carboxylate(1384518-99-3)
• EPA Substance Registry System: (3Z,4E)-ethyl 3-(2-ethoxy-2-oxoethylidene)-7-phenyl-2,3-dihydrobenzo[b]oxepine-4-carboxylate(1384518-99-3)

Safety Data

• Hazardous Substances Data: 1384518-99-3(Hazardous Substances Data)

Upstream product

• 1278587-70-4 ethyl 2-(chloromethyl)-2-hydroxy-6-phenyl-2H-1-benzopyran-3-carboxylate 
• 1099-45-2 ethyl (triphenylphosphoranylidene)acetate 

Relevant articles and documents

Wittig homologation of 2-(chloromethyl)-2H-chromen-2-ol derivatives: A new facile synthesis of substituted 2,3-dihydrobenzoxepine-4-carboxylates

Wittig homologation of 2-(chloromethyl)-2H-chromen-2-ol derivatives 2a-t with (ethoxycarbonylmethylene)triphenylphosphorane provided the 2-oxoethylidene-2,3-dihydrobenzoxepine-4-carboxy-lates 3a-t with Z (cis) selectivity. Various basic catalysts were studied for the reaction of 2-(chloromethyl)-2H-chromen-2-ol 2a with the combination of Wittig reagent to provide compound 3b. The reaction of 2-(chloromethyl)-2H-chromen-2-ol 2a with other Wittig reagents, such as methylene(triphenylene)phosphorane and (1-ethoxycarbonylethylidene)triphenylphosphorane provided ketone derivative 4a rather 2-oxoethylidene derivative 3b. The ketone derivative 4a was reacted with Wittig reagent (ethoxycarbonylmethylene)triphenylphosphorane to give 2,3-dihydrobenzoxepine-4-carboxylate 3b. The present approach is novel, straight forward and being reported for the first time.