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tert-Butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

  • CAS No. 1453315-97-3

  • Cat. No. CS-0183463
  • Purity≥97%
  • MDL No.None

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

tert-Butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate|CS-0183463

Structure of 1453315-97-3

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General Information

  • CAS No. 1453315-97-3
  • Cat. No. CS-0183463
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₇NO₄
  • Molecular Weight 227.26
  • Synonym(s) 2-Boc-8-oxo-5-oxa-2-azaspiro[3.4]octane
  • SMILES CC(C)(C)OC(=O)N1CC2(C1)C(=O)CCO2

Description

tert-Butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate features a spirocyclic scaffold with embedded oxygen and nitrogen heteroatoms, delivering a rigid, electron-deficient core ideal for asymmetric synthesis. The tert-butyl ester group enhances solubility and stability under standard conditions, enabling straightforward deprotection and functionalization in complex molecule assembly.

Application

tert-Butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate serves as a versatile spirocyclic scaffold for medicinal chemistry, enabling efficient access to complex nitrogen-containing heterocycles. The molecule features a stable tert-butyl ester, a ketone at C8, and a lactam-like oxazepine core, facilitating selective transformations under mild conditions. Its bench-stable nature and compatibility with standard functional group manipulations make it ideal for modular synthesis of bioactive compounds.

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
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

  • TPSA   55.84
  • LogP   0.9653
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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