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tert-Butyl 1,7-diazaspiro[3.5]nonane-7-carboxylate

  • CAS No. 1180112-41-7

  • Cat. No. CS-W022980
  • Purity≥96%
  • MDL No.MFCD14581195

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

tert-Butyl 1,7-diazaspiro[3.5]nonane-7-carboxylate|CS-W022980

Structure of 1180112-41-7

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General Information

  • CAS No. 1180112-41-7
  • Cat. No. CS-W022980
  • Purity ≥96%
  • MDL No. MFCD14581195
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₂N₂O₂
  • Molecular Weight 226.32
  • Synonym(s) 1,7-Diazaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester
  • SMILES O=C(N(CC1)CCC21CCN2)OC(C)(C)C

Description

tert-Butyl 1,7-diazaspiro[3.5]nonane-7-carboxylate features a rigid spirocyclic core with strategically positioned nitrogen atoms, enabling efficient integration into complex heterocyclic scaffolds. The tert-butyl ester group provides enhanced stability and facilitates convenient deprotection under mild acidic conditions. This compound serves as a key building block in medicinal chemistry for constructing bioactive molecules with improved solubility and metabolic resilience.

Application

tert-Butyl 1,7-diazaspiro[3.5]nonane-7-carboxylate serves as a versatile spirocyclic scaffold for medicinal chemistry and catalytic synthesis. The protected diamine core exhibits excellent bench stability and facilitates orthogonal functionalization at both nitrogen atoms. It enables efficient access to complex heterocycles via standard coupling reactions and reductive amination protocols, with the tert-butyl group allowing straightforward deprotection under mild acidic conditions. This makes it a practical building block for API development and ligand 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   1.7494
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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