CAS 1255147-08-0

1,1-Dimethylethyl 2-ethylhexahydro-5-oxo-1H-1,4-diazepine-1-carboxylate

Description:

1,1-Dimethylethyl 2-ethylhexahydro-5-oxo-1H-1,4-diazepine-1-carboxylate, identified by its CAS number 1255147-08-0, is a chemical compound that belongs to the class of diazepines, which are characterized by a seven-membered ring containing two nitrogen atoms. This compound features a carboxylate ester functional group, contributing to its potential reactivity and solubility properties. The presence of the dimethyl group and the ethyl substituent indicates that it may exhibit steric hindrance, influencing its interactions with other molecules. The oxo group suggests that it may participate in various chemical reactions, including nucleophilic attacks or condensation reactions. Its structural complexity may also impart unique pharmacological properties, making it of interest in medicinal chemistry. As with many diazepines, it may exhibit biological activity, although specific biological data would be necessary to ascertain its therapeutic potential. Overall, this compound's characteristics suggest it could be a valuable subject for further research in both synthetic and medicinal chemistry contexts.

Formula: C₁₂H₂₂N₂O₃

InChI: InChI=1S/C12H22N2O3/c1-5-9-8-13-10(15)6-7-14(9)11(16)17-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,15)

InChI key: InChIKey=OSUATXUTDNILPH-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C(CC)CNC(=O)CC1

Synonyms:

• 1H-1,4-Diazepine-1-carboxylic acid, 2-ethylhexahydro-5-oxo-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 2-ethylhexahydro-5-oxo-1H-1,4-diazepine-1-carboxylate