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CS-W001157 4
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tert-Butyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate

  • CAS No. 147804-30-6

  • Cat. No. CS-W000440
  • Purity≥98%
  • MDL No.MFCD07779385

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

tert-Butyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate|CS-W000440

Structure of 147804-30-6

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General Information

  • CAS No. 147804-30-6
  • Cat. No. CS-W000440
  • Purity ≥98%
  • MDL No. MFCD07779385
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₉NO₃
  • Molecular Weight 213.27
  • Synonym(s) 6-Boc-1-oxa-6-azaspiro[2.5]octane
  • SMILES O=C(N1CCC2(CC1)OC2)OC(C)(C)C

Description

tert-Butyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate is a bicyclic heteroatom-containing scaffold featuring a spirocyclic core with embedded oxygen and nitrogen atoms. This stable, bench-ready building block integrates seamlessly into medicinal chemistry campaigns, enabling rapid access to constrained, three-dimensional libraries. The tert-butyl ester group facilitates straightforward deprotection under mild acidic conditions.

Application

tert-Butyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate serves as a versatile spirocyclic scaffold for medicinal chemistry, enabling the construction of constrained heterocycles with defined stereochemistry. The protected amine and ester functionalities offer orthogonal reactivity, facilitating downstream transformations including hydrogenolysis, hydrolysis, and coupling reactions. Its bench-stable nature and compatibility with standard synthetic protocols make it a practical building block for complex molecule synthesis.

Synthesis

  • Route1
    • null|null
      79099-07-3
    • ~97%
    • In-stock
      tert-Butyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate|CS-W000440
      147804-30-6

    References

    • TEIJIN LIMITED Patent: EP1505067 A1, 2005 ; Location in patent: Page/Page column 368 ; EP 1505067 A1
  • Route2

    References

    • ACHAOGEN, INC.; AGGEN, James, Bradley; DOZZO, Paola; GOLDBLUM, Adam, Aaron; HILDEBRANDT, Darin, James; KANE, Timothy, Robert; GLIEDT, Micah, James; LINSELL, Martin, Sheringham Patent: WO2011/44501 A2, 2011 ; Location in patent: Page/Page column 58; 67 ;
  • Route3
    • In-stock
      Trimethylsulfoxonium iodide|CS-W018549
      1774-47-6
    • null|null
      79099-07-3
    • ~94%
    • In-stock
      tert-Butyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate|CS-W000440
      147804-30-6

    References

    • GLAXO GROUP LIMITED Patent: WO2008/129007 A1, 2008 ; Location in patent: Page/Page column 38 ; WO 2008/129007 A1

Safety Information

Download SDS
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   42.07
  • LogP   1.7863
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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