CAS 845866-59-3

Phenylmethyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Description:

Phenylmethyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, identified by its CAS number 845866-59-3, 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 phenylmethyl group enhances its lipophilicity, which may influence its biological activity and interaction with various biological targets. Typically, compounds of this nature may exhibit properties such as moderate to high stability under standard conditions, and they may participate in various chemical reactions, including esterification and nucleophilic substitutions. The bicyclic structure often imparts unique steric and electronic properties, making it of interest in medicinal chemistry and drug design. Additionally, the compound may exhibit specific pharmacological activities, although detailed studies would be necessary to elucidate its full biological profile. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₃H₁₆N₂O₂

InChI: InChI=1S/C13H16N2O2/c16-13(15-8-11-6-12(15)7-14-11)17-9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2

InChI key: InChIKey=SFFOUMARWDXTDD-UHFFFAOYSA-N

SMILES: C(OCC1=CC=CC=C1)(=O)N2C3CC(C2)NC3

Synonyms:

• Phenylmethyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
• 2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid, phenylmethyl ester