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tert-Butyl3-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate

  • CAS No. 1346229-46-6

  • Cat. No. CS-0172839
  • Purity≥96%
  • MDL No.MFCD24471470

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

tert-Butyl3-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate|CS-0172839

Structure of 1346229-46-6

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General Information

  • CAS No. 1346229-46-6
  • Cat. No. CS-0172839
  • Purity ≥96%
  • MDL No. MFCD24471470
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₃NO₄
  • Molecular Weight 269.34
  • Synonym(s) None
  • SMILES O=C(OC(C)(C)C)N1CCC2(OCC(=O)CC2)CC1

Description

tert-Butyl 3-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate features a rigid spirocyclic core with complementary carbonyl and amide functionalities, enabling direct integration into complex heterocyclic scaffolds. This bench-stable derivative supports efficient functionalization under mild conditions, offering precise control in medicinal chemistry campaigns targeting constrained macrocycles.

Application

tert-Butyl 3-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate serves as a versatile spirocyclic building block for the synthesis of complex heterocyclic scaffolds. Its structure features a rigid spiro core with orthogonal functional groups—namely a ketone and a tert-butyl ester—enabling selective transformations in medicinal chemistry and natural product synthesis. The compound exhibits excellent bench stability, facilitates efficient purification, and participates reliably in standard reductive amination, nucleophilic addition, and cyclization 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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   55.84
  • LogP   2.1356
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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