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CS-W001157 4
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Ethyl (1R,5S,6S)-rel-3-azabicyclo[3.1.0]hexane-6-carboxylate

  • CAS No. 174456-77-0

  • Cat. No. CS-0054961
  • Purity≥98%
  • MDL No.MFCD17078897

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

Ethyl (1R,5S,6S)-rel-3-azabicyclo[3.1.0]hexane-6-carboxylate|CS-0054961

Structure of 174456-77-0

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General Information

  • CAS No. 174456-77-0
  • Cat. No. CS-0054961
  • Purity ≥98%
  • MDL No. MFCD17078897
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₃NO₂
  • Molecular Weight 155.19
  • Synonym(s) Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate
  • SMILES O=C([C@@H]1[C@@]2([H])CNC[C@@]12[H])OCC

Synthesis

  • Route1
    • null|null
      146726-10-5
    • ~%
    • Ethyl (1R,5S,6S)-rel-3-azabicyclo[3.1.0]hexane-6-carboxylate|CS-0054961
      174456-77-0

    References

    • WO2004/33451 A1, ; Page 63-64 ;
  • Route2

    References

    • WO2012/125662 A1, ; WO 2012/125662 A1

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   0.0149
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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