CAS 122684-56-4

Methyl 2-azabicyclo[2.2.2]octane-6-carboxylate

Description:

Methyl 2-azabicyclo[2.2.2]octane-6-carboxylate, identified by its CAS number 122684-56-4, is a bicyclic compound featuring a nitrogen atom within its ring structure, which classifies it as a bicyclic amine. This compound is characterized by its azabicyclic framework, which consists of a bicyclo[2.2.2]octane core, providing unique steric and electronic properties. The presence of a carboxylate ester functional group contributes to its reactivity, making it a potential candidate for various chemical transformations. Methyl esters are generally known for their relatively low boiling points and moderate solubility in organic solvents, which can influence their behavior in synthetic applications. Additionally, the nitrogen atom in the bicyclic structure can impart basicity and potential nucleophilicity, allowing for interactions with electrophiles. This compound may find applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that can mimic biologically relevant molecules. Overall, Methyl 2-azabicyclo[2.2.2]octane-6-carboxylate exhibits a combination of unique structural characteristics and functional reactivity.

Formula: C₉H₁₅NO₂

InChI: InChI=1S/C9H15NO2/c1-12-9(11)7-4-6-2-3-8(7)10-5-6/h6-8,10H,2-5H2,1H3

InChI key: InChIKey=ZIUUUKKAMFKVCY-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1C2CCC(C1)CN2

Synonyms:

• Methyl 2-azabicyclo[2.2.2]octane-6-carboxylate
• 2-Azabicyclo[2.2.2]octane-6-carboxylic acid, methyl ester