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tert-Butyl 2-oxa-5,8-diazaspiro[3.5]nonane-5-carboxylate

  • CAS No. 1367936-05-7

  • Cat. No. CS-0030174
  • Purity≥96%
  • MDL No.MFCD22035556

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

tert-Butyl 2-oxa-5,8-diazaspiro[3.5]nonane-5-carboxylate|CS-0030174

Structure of 1367936-05-7

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General Information

  • CAS No. 1367936-05-7
  • Cat. No. CS-0030174
  • Purity ≥96%
  • MDL No. MFCD22035556
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₀N₂O₃
  • Molecular Weight 228.29
  • Synonym(s) tert-butyl 1-oxo-6-phenyl-2,8-diazaspiro[4.5]decane-8-carboxylate
  • SMILES O=C(N(CCNC1)C21COC2)OC(C)(C)C

Description

tert-Butyl 2-oxa-5,8-diazaspiro[3.5]nonane-5-carboxylate features a spirocyclic scaffold integrating oxygen and nitrogen heteroatoms, delivering enhanced stability and solubility in polar organic media. This bench-stable derivative enables efficient incorporation into complex molecular architectures, particularly valuable in medicinal chemistry campaigns requiring rigid, conformationally restricted motifs.

Application

tert-Butyl 2-oxa-5,8-diazaspiro[3.5]nonane-5-carboxylate serves as a versatile spirocyclic scaffold for the synthesis of bioactive heterocycles, offering orthogonal functional group handles and enhanced metabolic stability. Its bench-stable tert-butyl ester enables straightforward deprotection under mild acidic conditions, while the embedded oxazepine ring system facilitates efficient coupling reactions and supports diversification via amine alkylation or nucleophilic displacement.

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   50.8
  • LogP   0.5957
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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