CAS 1160247-12-0

8-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-oxo-1,4,8-triazaspiro[5.5]undecane-1,8-dicarboxylate

Description:

The chemical substance known as "8-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-oxo-1,4,8-triazaspiro[5.5]undecane-1,8-dicarboxylate" with CAS number 1160247-12-0 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 substituents, including the tert-butyl group and the phenylmethyl group, suggest that the compound may exhibit lipophilic properties, which could influence its solubility and interaction with biological membranes. The dicarboxylate functionality indicates the presence of two carboxylic acid groups, which may participate in hydrogen bonding and ionic interactions, enhancing the compound's reactivity and potential applications in medicinal chemistry. Overall, this compound's structural features suggest it may have interesting pharmacological properties, warranting further investigation for potential therapeutic uses.

Formula: C₂₁H₂₉N₃O₅

InChI: InChI=1S/C21H29N3O5/c1-20(2,3)29-18(26)23-11-7-10-21(15-23)14-22-17(25)12-24(21)19(27)28-13-16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3,(H,22,25)

InChI key: InChIKey=VGDGHKMQWHZDEQ-UHFFFAOYSA-N

SMILES: C(OCC1=CC=CC=C1)(=O)N2C3(CN(C(OC(C)(C)C)=O)CCC3)CNC(=O)C2

Synonyms:

• 8-(1,1-Dimethylethyl) 1-(phenylmethyl) 3-oxo-1,4,8-triazaspiro[5.5]undecane-1,8-dicarboxylate
• 1,4,8-Triazaspiro[5.5]undecane-1,8-dicarboxylic acid, 3-oxo-, 8-(1,1-dimethylethyl) 1-(phenylmethyl) ester