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2-Oxa-6-azaspiro[3.3]heptane oxalate 2:1

  • CAS No. 1045709-32-7

  • Cat. No. CS-B0204
  • Purity≥97%
  • MDL No.MFCD16652332

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

2-Oxa-6-azaspiro[3.3]heptane oxalate 2:1|CS-B0204

Structure of 1045709-32-7

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General Information

  • CAS No. 1045709-32-7
  • Cat. No. CS-B0204
  • Purity ≥97%
  • MDL No. MFCD16652332
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₀N₂O₆
  • Molecular Weight 288.30
  • Synonym(s) 2-Oxa-6-azaspiro[3.3]heptane hemioxalate
  • SMILES O=C(O)C(O)=O.C12(COC2)CNC1.C34(COC4)CNC3

Description

This spirocyclic oxalate salt features a rigid 2-oxa-6-azaspiro[3.3]heptane core paired with two oxalate anions, delivering exceptional thermal stability and solubility in polar aprotic solvents. The constrained geometry enhances regioselectivity in nucleophilic transformations, while the dual counterion system facilitates clean ion separation during synthetic manipulations.

Application

2-Oxa-6-azaspiro[3.3]heptane oxalate (2:1) serves as a stable, bench-ready precursor for the synthesis of spirocyclic heterocycles with defined stereochemistry. The oxalate salt enhances solubility and crystallinity, facilitating purification and handling. It functions as a key building block in medicinal chemistry for constructing bioactive scaffolds, particularly in CNS-targeted compounds, due to its compatibility with standard amine alkylation and functionalization protocols.

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   117.12
  • LogP   -1.632
  • H_Acceptors   6
  • H_Donors   4
  • Rotatable_Bonds   0

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