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CAS 1803562-89-1

:

1,1-Dimethylethyl hexahydro-4-oxo-5-phenyl-1H-azepine-1-carboxylate

Description:
1,1-Dimethylethyl hexahydro-4-oxo-5-phenyl-1H-azepine-1-carboxylate, identified by its CAS number 1803562-89-1, is a chemical compound that belongs to the class of azepines, which are seven-membered cyclic amines. This compound features a hexahydro structure, indicating it is saturated and contains multiple carbon atoms in its ring system. The presence of a phenyl group suggests that it has aromatic characteristics, which can influence its reactivity and interactions. The "4-oxo" designation indicates the presence of a carbonyl group (C=O) at the fourth position of the azepine ring, contributing to its potential reactivity and stability. Additionally, the "1-carboxylate" part of the name implies that there is a carboxylic acid derivative, which can enhance solubility and reactivity in various chemical environments. Overall, this compound may exhibit interesting biological or pharmacological properties, making it a subject of interest in medicinal chemistry and related fields. However, specific physical and chemical properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.
Formula:C17H23NO3
InChI:InChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-11-9-14(15(19)10-12-18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChI key:InChIKey=BYKSIHZVMLLOEO-UHFFFAOYSA-N
SMILES:O=C1C(CCN(C(OC(C)(C)C)=O)CC1)C2=CC=CC=C2
Synonyms:
  • 1H-Azepine-1-carboxylic acid, hexahydro-4-oxo-5-phenyl-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl hexahydro-4-oxo-5-phenyl-1H-azepine-1-carboxylate
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