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CS-W001157 4
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Benzyl 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

  • CAS No. 140927-07-7

  • Cat. No. CS-0196771
  • Molecule weight229.27
  • Purity≥95%
  • MDL No.None

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

Benzyl 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate|CS-0196771

Structure of 140927-07-7

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General Information

  • CAS No. 140927-07-7
  • Cat. No. CS-0196771
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅NO₂
  • Molecular Weight 229.27
  • Synonym(s) 2-Azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, phenylMethyl ester
  • SMILES C1=CC=C(C=C1)COC(=O)N2CC3C=CC2C3

Synthesis

  • Route1
    • null|null
      50-00-0
    • null|null
      542-92-7
    • null|null
      501-53-1
    • ~21%
    • Benzyl 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate|CS-0196771
      140927-07-7

    References

    • Chytil, Milan; Engel, Sharon R.; Fang, Qun Kevin Patent: US2011/65694 A1, 2011 ; Location in patent: Page/Page column 65 ;
  • Route2
    • 2-Azabicyclo[2.2.1]hept-5-en-3-one Abacavir Impurity|CS-0229666
      49805-30-3
    • null|null
      501-53-1
    • ~%
    • Benzyl 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate|CS-0196771
      140927-07-7

    References

    • BANYU PHARMACEUTICAL CO., LTD. Patent: EP1726590 A1, 2006 ; Location in patent: Page/Page column 29; 79 ;
  • Route3
    • null|null
      6671-85-8
    • null|null
      501-53-1
    • ~%
    • Benzyl 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate|CS-0196771
      140927-07-7

    References

    • Carroll, F. Ivy; Abraham, Phillip; Chemburkar, Sanjay; He, Xu-Chang; Mascarella, S. Wayne; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 12 p. 2184 - 2191

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

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Computational Chemistry Data

  • TPSA   29.54
  • LogP   2.5835
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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