CAS 1354950-59-6

1,1-Dimethylethyl 2,7-diazabicyclo[3.3.1]nonane-2-carboxylate

Description:

1,1-Dimethylethyl 2,7-diazabicyclo[3.3.1]nonane-2-carboxylate, identified by its CAS number 1354950-59-6, is a chemical compound characterized by its bicyclic structure, which includes a diazabicyclo framework. This compound features a carboxylate functional group, contributing to its potential reactivity and solubility properties. The presence of the 1,1-dimethylethyl group indicates steric hindrance, which can influence the compound's interactions with other molecules, potentially affecting its biological activity and stability. The bicyclic nature of the compound suggests it may exhibit unique conformational properties, which can be significant in applications such as catalysis or as a ligand in coordination chemistry. Additionally, the presence of nitrogen atoms in the bicyclic structure may impart basicity, making it relevant in various chemical reactions, including those involving nucleophiles. Overall, this compound's unique structural features may lend it utility in synthetic organic chemistry and medicinal chemistry, although specific applications would depend on further research and characterization.

Formula: C₁₂H₂₂N₂O₂

InChI: InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-5-4-9-6-10(14)8-13-7-9/h9-10,13H,4-8H2,1-3H3

InChI key: InChIKey=UJWJTHBFPHYTKH-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C2CC(CC1)CNC2

Synonyms:

• 1,1-Dimethylethyl 2,7-diazabicyclo[3.3.1]nonane-2-carboxylate
• 2,7-Diazabicyclo[3.3.1]nonane-2-carboxylic acid, 1,1-dimethylethyl ester