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Ethyl 3-azabicyclo[3.1.0]hexane-1-carboxylate

  • CAS No. 63618-09-7

  • Cat. No. CS-0057407
  • Purity≥98%
  • MDL No.MFCD20661674

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

Ethyl 3-azabicyclo[3.1.0]hexane-1-carboxylate|CS-0057407

Structure of 63618-09-7

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General Information

  • CAS No. 63618-09-7
  • Cat. No. CS-0057407
  • Purity ≥98%
  • MDL No. MFCD20661674
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₃NO₂
  • Molecular Weight 155.19
  • Synonym(s) None
  • SMILES O=C(C12CNCC1C2)OCC

Synthesis

  • Route1

    References

    • GLAXO WELLCOME MANUFACTURING PTE LTD; ALVARO, Giuseppe; CARDULLO, Francesca; CASTIGLIONI, Emiliano Patent: WO2010/7032 A1, 2010 ; Location in patent: Page/Page column 35 ; WO 2010/007032 A1
  • Route2
    • 3-Benzyl 1-ethyl 3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate|CS-0184816
      937057-86-8
    • ~%
    • Ethyl 3-azabicyclo[3.1.0]hexane-1-carboxylate|CS-0057407
      63618-09-7

    References

    • Daiichi Sankyo Company, Limited Patent: EP1939205 A1, 2008 ; Location in patent: Page/Page column 151 ;
  • Route3

    References

    • MITHRIDION, INC.; ABRAHAM, Brent, D.; COPP, Richard, R.; FARNHAM, James, G.; HANSON, Seth, A.; HENDRICKSON, Michael, L.; OCKULY, Jeffrey, C.; TWOSE, Trevor, M.; VERDONE, Melinda, L. Patent: WO2011/85406 A1, 2011 ; Location in patent: Page/Page column 150 ; WO 2011/085406 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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   0.159
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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