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tert-Butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

  • CAS No. 1330765-39-3

  • Cat. No. CS-0038309
  • Molecule weight226.27
  • Purity≥97%
  • MDL No.None

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

tert-Butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate|CS-0038309

Structure of 1330765-39-3

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General Information

  • CAS No. 1330765-39-3
  • Cat. No. CS-0038309
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₈N₂O₃
  • Molecular Weight 226.27
  • Synonym(s) None
  • SMILES CC(C)(C)OC(=O)N1CC2(CCNC2=O)C1

Description

tert-Butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate features a spirocyclic scaffold with dual nitrogen atoms and a ketone at the 5-position, offering a rigid, electron-deficient core ideal for medicinal chemistry applications. The tert-butyl ester enhances solubility and stability during synthetic manipulations.

Application

tert-Butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate serves as a versatile spirocyclic building block for the synthesis of nitrogen-containing heterocycles. Its constrained bicyclic framework features a ketone and a protected amine, enabling selective functionalization and compatibility with standard coupling and reduction protocols. The tert-butyl ester group provides excellent bench stability and facilitates straightforward deprotection under mild acidic conditions, making it well-suited 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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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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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