CAS 1251009-05-8

2-(1,1-Dimethylethyl) 6-(phenylmethyl) 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate

Description:

2-(1,1-Dimethylethyl) 6-(phenylmethyl) 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate is a complex organic compound characterized by its unique spirocyclic structure, which incorporates both nitrogen and carbon atoms. The presence of the triaza moiety indicates that the compound contains three nitrogen atoms within its framework, contributing to its potential biological activity. The dicarboxylate functional groups suggest that it can participate in various chemical reactions, including esterification and amidation. The bulky 1,1-dimethylethyl group and the phenylmethyl substituent enhance the compound's lipophilicity, potentially influencing its solubility and interaction with biological membranes. Additionally, the keto group (8-oxo) may play a role in reactivity and stability. Overall, this compound's structural features suggest it may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its potential interactions with biological targets. However, specific properties such as solubility, melting point, and reactivity would require empirical data for comprehensive characterization.

Formula: C₂₀H₂₇N₃O₅

InChI: InChI=1S/C20H27N3O5/c1-19(2,3)28-17(25)22-10-9-20(14-22)13-21-16(24)11-23(20)18(26)27-12-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,21,24)

InChI key: InChIKey=ALYZEQUHIISTTO-UHFFFAOYSA-N

SMILES: C(OCC1=CC=CC=C1)(=O)N2C3(CN(C(OC(C)(C)C)=O)CC3)CNC(=O)C2

Synonyms:

• 2,6,9-Triazaspiro[4.5]decane-2,6-dicarboxylic acid, 8-oxo-, 2-(1,1-dimethylethyl) 6-(phenylmethyl) ester
• 2-(1,1-Dimethylethyl) 6-(phenylmethyl) 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate