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CS-W001157 4
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8-Benzyl-2,8-diazaspiro[4.5]decan-3-one

  • CAS No. 154495-69-9

  • Cat. No. CS-0000517
  • Molecule weight244.33
  • Purity≥97%
  • MDL No.MFCD15147047

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

8-Benzyl-2,8-diazaspiro[4.5]decan-3-one|CS-0000517

Structure of 154495-69-9

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General Information

  • CAS No. 154495-69-9
  • Cat. No. CS-0000517
  • Purity ≥97%
  • MDL No. MFCD15147047
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₀N₂O
  • Molecular Weight 244.33
  • Synonym(s) None
  • SMILES O=C(C1)NCC21CCN(CC3=CC=CC=C3)CC2

Description

8-Benzyl-2,8-diazaspiro[4.5]decan-3-one features a rigid spirocyclic scaffold with dual nitrogen atoms and a strategically positioned benzyl group, enabling precise spatial control in molecular design. The ketone functionality at the 3-position offers a reactive handle for derivatization, while the spiro architecture enhances conformational stability. This structure supports integration into complex synthetic targets requiring defined stereochemistry and steric shielding.

Application

8-Benzyl-2,8-diazaspiro[4.5]decan-3-one serves as a versatile spirocyclic scaffold in medicinal chemistry, enabling the construction of complex heterocyclic architectures. Its stability and defined stereochemistry facilitate efficient functionalization at multiple sites, while the ketone and tertiary amine functionalities support diverse transformations. The benzyl group enhances lipophilicity and provides a handle for further derivatization, making this compound a practical building block for target-oriented synthesis and library generation.

Synthesis

  • Route1
    • Ethyl 2-(1-benzyl-4-piperidinylidene)acetate|CS-W001563
      40110-55-2
    • ~%
    • In-stock
      8-Benzyl-2,8-diazaspiro[4.5]decan-3-one|CS-0000517
      154495-69-9

    References

    • Cignarella; Villa; Barlocco Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 5 p. 1357 - 1359

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   32.34
  • LogP   1.7887
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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