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CAS 898761-47-2

:

Benzonitrile, 2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]-

Description:
Benzonitrile, 2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]- is a chemical compound characterized by its complex structure, which includes a benzonitrile moiety and a spirocyclic system. The presence of the nitrile functional group (-C≡N) indicates that it can participate in various chemical reactions, such as nucleophilic additions. The spirocyclic structure contributes to its unique three-dimensional conformation, potentially influencing its reactivity and interactions with biological targets. The compound may exhibit properties such as solubility in organic solvents and moderate stability under standard conditions. Its potential applications could span across pharmaceuticals and materials science, particularly in drug design or as a building block in organic synthesis. The presence of the dioxane ring suggests that it may also have interesting solvation properties. Overall, the specific characteristics of this compound, including its reactivity, solubility, and biological activity, would depend on the detailed analysis of its molecular structure and the functional groups present.
Formula:C22H22N2O3
InChI:InChI=1S/C22H22N2O3/c23-15-19-5-1-2-7-20(19)21(25)18-6-3-4-17(14-18)16-24-10-8-22(9-11-24)26-12-13-27-22/h1-7,14H,8-13,16H2
InChI key:InChIKey=AHVODIBTTMXIJJ-UHFFFAOYSA-N
SMILES:C(N1CCC2(CC1)OCCO2)C3=CC(C(=O)C4=C(C#N)C=CC=C4)=CC=C3
Synonyms:
  • Benzonitrile, 2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]-
  • 2-[3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitrile
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