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tert-Butyl 1,6-diazaspiro[3.5]nonane-6-carboxylate

  • CAS No. 1251002-00-2

  • Cat. No. CS-0041919
  • Purity≥95%
  • MDL No.MFCD14581197

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

tert-Butyl 1,6-diazaspiro[3.5]nonane-6-carboxylate|CS-0041919

Structure of 1251002-00-2

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General Information

  • CAS No. 1251002-00-2
  • Cat. No. CS-0041919
  • Purity ≥95%
  • MDL No. MFCD14581197
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₂N₂O₂
  • Molecular Weight 226.32
  • Synonym(s) tert-butyl 1,8-diazaspiro[3.5]nonane-8-carboxylate
  • SMILES O=C(N(CCC1)CC21CCN2)OC(C)(C)C

Description

tert-Butyl 1,6-diazaspiro[3.5]nonane-6-carboxylate features a rigid spirocyclic scaffold with two nitrogen atoms at the 1 and 6 positions, delivering enhanced conformational control. The tert-butyl ester group provides stability and facilitates straightforward deprotection under mild acidic conditions. This compound serves as a key building block for bioactive molecules requiring constrained diamine motifs in medicinal chemistry applications.

Application

tert-Butyl 1,6-diazaspiro[3.5]nonane-6-carboxylate serves as a versatile spirocyclic building block for the synthesis of nitrogen-containing heterocycles. The protected diamine scaffold enables controlled functionalization at both nitrogen centers, with the tert-butyl ester facilitating straightforward deprotection under mild acidic conditions. Its rigid spiro architecture imparts conformational stability and enhances solubility in organic solvents, supporting efficient purification and compatibility with standard coupling reactions. Widely used in medicinal chemistry campaigns, it functions as a key intermediate in constructing complex scaffolds relevant to CNS-targeted therapeutics and kinase inhibitors.

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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