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CS-W001157 4
Total: USD 88.00

2-Oxa-6-azaspiro[3.3]heptane

  • CAS No. 174-78-7

  • Cat. No. CS-0000824
  • Purity≥98%
  • MDL No.MFCD12407093

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

2-Oxa-6-azaspiro[3.3]heptane|CS-0000824

Structure of 174-78-7

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General Information

  • CAS No. 174-78-7
  • Cat. No. CS-0000824
  • Purity ≥98%
  • MDL No. MFCD12407093
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉NO
  • Molecular Weight 99.13
  • Synonym(s) 2-Oxa-6-azaspiro[3.3]heptanes oxalate
  • SMILES C12(COC2)CNC1

Description

2-Oxa-6-azaspiro[3.3]heptane features a rigid, spirocyclic core integrating oxygen and nitrogen heteroatoms, delivering enhanced structural stability and predictable conformational behavior. This scaffold enables efficient incorporation into bioactive molecules, particularly in medicinal chemistry campaigns targeting constrained pharmacophores.

Application

2-Oxa-6-azaspiro[3.3]heptane serves as a rigid, bicyclic scaffold enabling precise spatial positioning of functional groups in medicinal chemistry applications. Its spirocyclic architecture provides enhanced metabolic stability and conformational restraint, while the oxazine ring offers moderate nucleophilicity for downstream derivatization. The compound exhibits excellent bench stability and facilitates efficient synthesis of heterocyclic intermediates through established coupling and cyclization protocols.

Synthesis

  • Route1

    References

    • Angewandte Chemie - International Edition, , vol. 47, # 24 p. 4512 - 4515

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H315-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P280-P362+P364-P370+P378-P501

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Computational Chemistry Data

  • TPSA   21.26
  • LogP   -0.3938
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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