CAS 1251004-25-7

rel-1,1-Dimethylethyl (1R,6S)-8-oxo-3-azabicyclo[4.2.0]octane-3-carboxylate

Description:

Rel-1,1-Dimethylethyl (1R,6S)-8-oxo-3-azabicyclo[4.2.0]octane-3-carboxylate is a chemical compound characterized by its bicyclic structure, which includes a nitrogen atom in its framework, indicative of its classification as an azabicyclic compound. The presence of the 8-oxo group suggests that it contains a ketone functionality, contributing to its reactivity and potential applications in organic synthesis. The carboxylate moiety indicates that it can exist in a deprotonated form, which may enhance its solubility in polar solvents. The specific stereochemistry denoted by the (1R,6S) configuration implies that the compound has distinct spatial arrangements of its substituents, which can significantly influence its biological activity and interactions with other molecules. This compound may be of interest in medicinal chemistry, particularly for its potential pharmacological properties. However, detailed studies on its physical properties, reactivity, and biological effects would be necessary to fully understand its applications and behavior in various chemical contexts.

Formula: C₁₂H₁₉NO₃

InChI: InChI=1/C12H19NO3/c1-12(2,3)16-11(15)13-5-4-8-6-10(14)9(8)7-13/h8-9H,4-7H2,1-3H3/t8-,9-/s2

InChI key: InChIKey=QUMADJAHTIPMBM-MDWBIBFBNA-N

SMILES: O=C1[C@@]2([C@](C1)(CCN(C(OC(C)(C)C)=O)C2)[H])[H]

Synonyms:

• rel-1,1-Dimethylethyl (1R,6S)-8-oxo-3-azabicyclo[4.2.0]octane-3-carboxylate
• 3-Azabicyclo[4.2.0]octane-3-carboxylic acid, 8-oxo-, 1,1-dimethylethyl ester, (1R,6S)-rel-