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2,6-Diazaspiro[3.4]octane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester

  • CAS No. 1234616-51-3

  • Cat. No. CS-0028389
  • Molecule weight226.27
  • Purity≥97%
  • MDL No.MFCD18325190

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

2,6-Diazaspiro[3.4]octane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester|CS-0028389

Structure of 1234616-51-3

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General Information

  • CAS No. 1234616-51-3
  • Cat. No. CS-0028389
  • Purity ≥97%
  • MDL No. MFCD18325190
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₈N₂O₃
  • Molecular Weight 226.27
  • Synonym(s) tert-Butyl 6-oxo-2,7-diazaspiro[3.4]octane-2-carboxylate
  • SMILES CC(C)(C)OC(N1CC(CNC2=O)(C2)C1)=O

Description

tert-Butyl 7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate features a rigid spirocyclic core with dual nitrogen atoms and a ketone at the C7 position, enabling direct functionalization in heterocyclic synthesis. The tert-butyl ester group enhances solubility and stability under standard conditions, facilitating downstream transformations without protecting-group manipulation. This scaffold serves as a key intermediate for bioactive alkaloid analogs and constrained peptide mimetics.

Application

tert-Butyl 7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate serves as a versatile spirocyclic building block for the synthesis of nitrogen-containing heterocycles. The molecule features a stable spirocyclic core with orthogonal functional groups: a ketone at C7 and a tert-butyl carbamate at C2, enabling selective transformations. It functions effectively in reductive amination, nucleophilic addition, and transition-metal-catalyzed coupling reactions, offering predictable regiochemistry and high bench stability. Its robustness and compatibility with standard purification methods make it ideal for iterative synthetic workflows in medicinal chemistry and process development.

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   58.64
  • LogP   0.7434
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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