CAS 1334499-04-5

1,1-Dimethylethyl 1-(aminomethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate

Description:

1,1-Dimethylethyl 1-(aminomethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate, identified by its CAS number 1334499-04-5, is a chemical compound characterized by its bicyclic structure, which includes a nitrogen atom in the ring, contributing to its classification as an azabicyclic compound. The presence of the dimethyl group enhances its steric properties, while the aminomethyl group introduces potential for hydrogen bonding and reactivity. This compound features a carboxylate functional group, which can participate in various chemical reactions, including esterification and amidation. Its unique structure may impart specific biological activities, making it of interest in medicinal chemistry and drug development. The compound's solubility, stability, and reactivity can be influenced by the steric hindrance from the tert-butyl group and the electronic effects of the carboxylate moiety. Overall, this compound's characteristics suggest potential applications in pharmaceuticals, particularly in the design of novel therapeutic agents.

Formula: C₁₂H₂₂N₂O₂

InChI: InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-5-4-9-6-12(9,7-13)8-14/h9H,4-8,13H2,1-3H3

InChI key: InChIKey=UOJGCKCHNCCMSV-UHFFFAOYSA-N

SMILES: C(N)C12C(C1)CCN(C(OC(C)(C)C)=O)C2

Synonyms:

• 3-Azabicyclo[4.1.0]heptane-3-carboxylic acid, 1-(aminomethyl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 1-(aminomethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate