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CAS 38461-80-2

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Methyl hexahydro-7-oxo-1H-azepine-4-carboxylate

Description:
Methyl hexahydro-7-oxo-1H-azepine-4-carboxylate, identified by its CAS number 38461-80-2, is a chemical compound that belongs to the class of azepines, which are seven-membered heterocyclic compounds containing nitrogen. This substance features a hexahydro structure, indicating it is saturated and contains a cyclic framework. The presence of a carboxylate group suggests it has acidic properties, while the methyl ester functionality indicates it can participate in various chemical reactions, such as hydrolysis or transesterification. The ketone group (7-oxo) contributes to its reactivity and potential applications in organic synthesis. Methyl hexahydro-7-oxo-1H-azepine-4-carboxylate may exhibit biological activity, making it of interest in medicinal chemistry. Its physical properties, such as solubility and boiling point, would depend on the specific molecular interactions and the presence of functional groups. Overall, this compound's unique structure and functional groups make it a candidate for further research in various chemical and pharmaceutical applications.
Formula:C8H13NO3
InChI:InChI=1S/C8H13NO3/c1-12-8(11)6-2-3-7(10)9-5-4-6/h6H,2-5H2,1H3,(H,9,10)
InChI key:InChIKey=XNAYEIBOTNDYMF-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1CCC(=O)NCC1
Synonyms:
  • Methyl hexahydro-7-oxo-1H-azepine-4-carboxylate
  • (±)-Hexahydro-5-carbomethoxy-2H-azepin-2-one
  • 1H-Azepine-4-carboxylic acid, hexahydro-7-oxo-, methyl ester, (±)-
  • 1H-Azepine-4-carboxylic acid, hexahydro-7-oxo-, methyl ester
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