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O2-tert-Butyl O3-ethyl (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate

  • CAS No. 214193-11-0

  • Cat. No. CS-0183646
  • Molecule weight255.31
  • Purity95+%
  • MDL No.MFCD13151935

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

O2-tert-Butyl O3-ethyl (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate|CS-0183646

Structure of 214193-11-0

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General Information

  • CAS No. 214193-11-0
  • Cat. No. CS-0183646
  • Purity 95+%
  • MDL No. MFCD13151935
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₁NO₄
  • Molecular Weight 255.31
  • Synonym(s) 2-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl) 3-ethyl ester, (1S,3S,5S)-
  • SMILES CCOC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)OC(C)(C)C

Synthesis

  • Route1

    References

    • ALANTOS PHARMACEUTICALS, INC. Patent: WO2006/116157 A2, 2006 ; Location in patent: Page/Page column 114-115 ; WO 2006/116157 A2
  • Route2
    • null|null
      75-11-6
    • (S)-2,3-Dihydropyrrole-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester|CS-0021429
      178172-26-4
    • ~%
    • O2-tert-Butyl O3-ethyl (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate|CS-0183646
      214193-11-0

    References

    • ACTELION PHARMACEUTICALS LTD Patent: WO2008/81399 A2, 2008 ; Location in patent: Page/Page column 85 ; WO 2008/081399 A2
  • Route3

    References

    • Hanessian, Stephen; Reinhold, Ulrich; Saulnier, Michel; Claridge, Stephen Bioorganic and Medicinal Chemistry Letters, 1998 , vol. 8, # 16 p. 2123 - 2128

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.84
  • LogP   1.9474
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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