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tert-Butyl 2,6-diazaspiro[3.4]octane-6-carboxylate

  • CAS No. 885270-86-0

  • Cat. No. CS-B1363
  • Purity≥95%
  • MDL No.MFCD08234738

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

tert-Butyl 2,6-diazaspiro[3.4]octane-6-carboxylate|CS-B1363

Structure of 885270-86-0

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General Information

  • CAS No. 885270-86-0
  • Cat. No. CS-B1363
  • Purity ≥95%
  • MDL No. MFCD08234738
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₀N₂O₂
  • Molecular Weight 212.29
  • Synonym(s) tert-Butyl-2,6-diazaspiro[3.4]octan-6-carboxylat
  • SMILES O=C(OC(C)(C)C)N(CC1)CC21CNC2

Description

tert-Butyl 2,6-diazaspiro[3.4]octane-6-carboxylate features a rigid spirocyclic core with two nitrogen atoms at the 2 and 6 positions, delivering enhanced conformational control. The tert-butyl ester group provides stability and ease of handling, while the diaza scaffold enables integration into complex heterocycles. This compound serves as a key building block in medicinal chemistry for targeted molecular architectures.

Application

tert-Butyl 2,6-diazaspiro[3.4]octane-6-carboxylate serves as a versatile spirocyclic scaffold for medicinal chemistry and catalytic synthesis. Its rigid bicyclic core provides defined stereochemistry and enhanced metabolic stability, while the tert-butyl ester enables straightforward deprotection under mild acidic conditions. The molecule exhibits excellent functional group tolerance, facilitating downstream derivatization in amide coupling, reductive amination, and transition-metal-catalyzed cross-coupling reactions. This robust building block is well-suited for fragment-based drug discovery and the construction of complex nitrogen-containing heterocycles.

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   1.2168
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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