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tert-Butyl 6-oxo-2-azaspiro[3.4]octane-2-carboxylate

  • CAS No. 1363382-39-1

  • Cat. No. CS-0048151
  • Purity≥97%
  • MDL No.None

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

tert-Butyl 6-oxo-2-azaspiro[3.4]octane-2-carboxylate|CS-0048151

Structure of 1363382-39-1

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General Information

  • CAS No. 1363382-39-1
  • Cat. No. CS-0048151
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₉NO₃
  • Molecular Weight 225.28
  • Synonym(s) 2-Boc-6-oxo-2-azaspiro[3.4]octane
  • SMILES CC(C)(C)OC(=O)N1CC2(C1)CCC(=O)C2

Description

tert-Butyl 6-oxo-2-azaspiro[3.4]octane-2-carboxylate is a sterically hindered spirocyclic lactam precursor featuring a bench-stable ketone and protected carboxylic acid functionality. This scaffold integrates seamlessly into complex heterocyclic systems, enabling efficient access to nitrogen-containing polycycles through modular transformations.

Application

tert-Butyl 6-oxo-2-azaspiro[3.4]octane-2-carboxylate serves as a versatile spirocyclic building block in medicinal chemistry, enabling efficient access to nitrogen-containing heterocycles. The ketone and ester functionalities support sequential functionalization, including reductive amination and nucleophilic addition. Its tert-butyl carbamate group offers stability and convenient removal under mild acidic conditions, facilitating downstream derivatization. This scaffold demonstrates excellent compatibility with standard synthetic protocols and is well-suited for modular library synthesis.

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   46.61
  • LogP   1.9765
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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