CAS 1310381-23-7

1,1-Dimethylethyl 3-oxo-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate

Description:

1,1-Dimethylethyl 3-oxo-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate is a complex organic compound characterized by its unique spirocyclic structure, which includes a diazabicyclic framework. The presence of a trifluoromethyl group contributes to its lipophilicity and potential biological activity, while the carboxylate functional group may enhance its solubility in polar solvents. The compound features a ketone functional group, indicating potential reactivity in various chemical transformations. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of nitrogen atoms that can participate in hydrogen bonding and coordination with biological targets. The compound's stability and reactivity can be influenced by the steric hindrance introduced by the dimethyl groups, which may affect its interaction with enzymes or receptors. Overall, this compound exemplifies the complexity and diversity of organic molecules, with implications for research in drug design and synthesis.

Formula: C₁₅H₂₃F₃N₂O₃

InChI: InChI=1S/C15H23F3N2O3/c1-13(2,3)23-12(22)20-6-4-14(5-7-20)9-19-11(21)8-10(14)15(16,17)18/h10H,4-9H2,1-3H3,(H,19,21)

InChI key: InChIKey=ROCWQIAJCZUVEC-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1C2(CCN(C(OC(C)(C)C)=O)CC2)CNC(=O)C1

Synonyms:

• 1,1-Dimethylethyl 3-oxo-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
• 2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 3-oxo-5-(trifluoromethyl)-, 1,1-dimethylethyl ester