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tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate

  • CAS No. 1023595-11-0

  • Cat. No. CS-0048472
  • Purity≥97%
  • MDL No.None

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

tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate|CS-0048472

Structure of 1023595-11-0

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General Information

  • CAS No. 1023595-11-0
  • Cat. No. CS-0048472
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₄N₂O₃
  • Molecular Weight 256.34
  • Synonym(s) tert-Butyl9H-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
  • SMILES CC(C)(C)OC(=O)N1CCOC2(CCNCC2)C1

Description

tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate features a rigid spirocyclic core with dual nitrogen and oxygen heteroatoms, enabling precise stereochemical control in complex molecule synthesis. The tert-butyl ester group offers stability and ease of removal under mild acidic conditions. This scaffold integrates readily into bioactive compound libraries, particularly where conformational restraint enhances target affinity.

Application

tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate serves as a versatile spirocyclic scaffold for medicinal chemistry campaigns, enabling efficient access to constrained heterobicyclic architectures. The protected diamine and lactam functionalities offer orthogonal reactivity, facilitating modular derivatization via amine alkylation, acylation, or hydrolysis. Bench-stable and readily purified by chromatography, it functions as a key building block in the synthesis of bioactive molecules featuring fused nitrogen-containing ring systems.

Safety Information

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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   50.8
  • LogP   1.3759
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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