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2,5-Diazaspiro[3.4]octane-5-carboxylic acid tert-butyl ester

  • CAS No. 1086398-04-0

  • Cat. No. CS-0000671
  • Molecule weight212.29
  • Purity≥95%
  • MDL No.MFCD11501186

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

2,5-Diazaspiro[3.4]octane-5-carboxylic acid tert-butyl ester|CS-0000671

Structure of 1086398-04-0

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General Information

  • CAS No. 1086398-04-0
  • Cat. No. CS-0000671
  • Purity ≥95%
  • MDL No. MFCD11501186
  • Storage -20°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₀N₂O₂
  • Molecular Weight 212.29
  • Synonym(s) tert-Butyl 2,5-diazaspiro[3.4]octane-5-carboxylate
  • SMILES O=C(OC(C)(C)C)N(CCC1)C21CNC2

Description

This tert-butyl ester derivative features a rigid spirocyclic core with dual nitrogen atoms positioned at the 2,5-locations, conferring enhanced conformational stability. The carboxylic acid tert-butyl ester group provides excellent solubility and handles well under standard conditions. This scaffold serves as a valuable building block in medicinal chemistry for constructing bioactive heterocycles.

Application

2,5-Diazaspiro[3.4]octane-5-carboxylic acid tert-butyl ester serves as a versatile scaffold for medicinal chemistry campaigns, enabling efficient access to spirocyclic heterocycles via standard deprotection and functionalization protocols. The tert-butyl ester group offers excellent bench stability and facilitates straightforward purification, while the rigid spirocyclic core provides defined stereochemical control and enhanced metabolic resilience in bioactive molecule design.

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   41.57
  • LogP   1.3593
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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