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tert-Butyl 3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate

  • CAS No. 1160246-85-4

  • Cat. No. CS-0048272
  • Purity≥97%
  • MDL No.None

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

tert-Butyl 3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate|CS-0048272

Structure of 1160246-85-4

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General Information

  • CAS No. 1160246-85-4
  • Cat. No. CS-0048272
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₉NO₄
  • Molecular Weight 241.28
  • Synonym(s) 3-Oxo-1-Oxa-7-azaspiro[4.4]nonane-7-carboxylic acid tert-butyl ester
  • SMILES CC(C)(C)OC(=O)N1CCC2(C1)CC(=O)CO2

Description

tert-Butyl 3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate features a spirocyclic scaffold integrating a lactam and ether linkage, delivering structural rigidity for targeted molecular design. This bench-stable, moisture-tolerant reagent enables direct incorporation of complex heterocycles in synthetic sequences.

Application

tert-Butyl 3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate serves as a versatile spirocyclic building block for the synthesis of complex nitrogen-containing heterocycles. The molecule features a ketone, a tertiary amine, and a protected carboxylic acid, enabling sequential functionalization via reductive amination, nucleophilic addition, or coupling reactions. Its stability under standard bench conditions and ease of purification make it suitable for iterative synthetic sequences 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   55.84
  • LogP   1.3554
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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