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8-benzyl-1,3,8-triazaspiro[4.5]decan-4-one

  • CAS No. 170921-48-9

  • Cat. No. CS-0062223
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

8-benzyl-1,3,8-triazaspiro[4.5]decan-4-one|CS-0062223

Structure of 170921-48-9

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General Information

  • CAS No. 170921-48-9
  • Cat. No. CS-0062223
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉N₃O
  • Molecular Weight 245.32
  • Synonym(s) 8-Benzyl-1,3,8-triaza-spiro[4.5]decan-4-one
  • SMILES O=C1NCNC12CCN(CC2)CC3=CC=CC=C3

Description

8-Benzyl-1,3,8-triazaspiro[4.5]decan-4-one features a rigid spirocyclic scaffold that integrates a benzyl group at the 8-position with a carbonyl-functionalized triazaspiro ring system. This configuration imparts enhanced stability and defined spatial orientation, enabling its use in targeted molecular architectures for medicinal chemistry applications.

Application

8-Benzyl-1,3,8-triazaspiro[4.5]decan-4-one serves as a versatile spirocyclic building block in medicinal chemistry, enabling efficient access to constrained heterocyclic scaffolds. Its stable spirocyclic core and well-defined stereochemistry facilitate predictable functionalization at the C4 carbonyl and benzyl-substituted nitrogen. The molecule exhibits excellent bench stability and compatibility with standard coupling, reduction, and derivatization protocols, making it a practical choice for lead optimization campaigns and API intermediate synthesis.

Synthesis

  • Route1
    • null|null
      3612-20-2
    • ~%
    • In-stock
      8-benzyl-1,3,8-triazaspiro[4.5]decan-4-one|CS-0062223
      170921-48-9

    References

    • Metwally, Kamel A.; Dukat, Malgorzata; Egan, Christina T.; Smith, Carol; DuPre, Ann; Gauthier, Colleen B.; Herrick-Davis, Katharine; Teitler, Milt; Glennon, Richard A. Journal of Medicinal Chemistry, 1998 , vol. 41, # 25 p. 5084 - 5093
  • Route2

    References

    • Metwally, Kamel A.; Dukat, Malgorzata; Egan, Christina T.; Smith, Carol; DuPre, Ann; Gauthier, Colleen B.; Herrick-Davis, Katharine; Teitler, Milt; Glennon, Richard A. Journal of Medicinal Chemistry, 1998 , vol. 41, # 25 p. 5084 - 5093
  • Route3
    • null|null
      77287-34-4
    • In-stock
      4-Amino-1-benzylpiperidine-4-carboxamide|CS-0110083
      170921-49-0
    • ~%
    • In-stock
      8-benzyl-1,3,8-triazaspiro[4.5]decan-4-one|CS-0062223
      170921-48-9

    References

    • Metwally, Kamel A.; Dukat, Malgorzata; Egan, Christina T.; Smith, Carol; DuPre, Ann; Gauthier, Colleen B.; Herrick-Davis, Katharine; Teitler, Milt; Glennon, Richard A. Journal of Medicinal Chemistry, 1998 , vol. 41, # 25 p. 5084 - 5093

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   44.37
  • LogP   0.6981
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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