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tert-Butyl 3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate

  • CAS No. 736181-18-3

  • Cat. No. CS-0159241
  • Purity≥98%
  • MDL No.MFCD24468878

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

tert-Butyl 3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate|CS-0159241

Structure of 736181-18-3

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General Information

  • CAS No. 736181-18-3
  • Cat. No. CS-0159241
  • Purity ≥98%
  • MDL No. MFCD24468878
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇NO₃
  • Molecular Weight 223.27
  • Synonym(s) 8-Azabicyclo[3.2.1]oct-6-ene-8-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
  • SMILES O=C(N(C1C2)C(C=C1)CC2=O)OC(C)(C)C

Synthesis

  • Route1
    • In-stock
      N-BOC-pyrrole|CS-D0903
      5176-27-2
    • null|null
      22612-89-1
    • ~%
    • In-stock
      tert-Butyl 3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate|CS-0159241
      736181-18-3

    References

    • Hodgson, David M.; Paruch, Edyta Tetrahedron, 2004 , vol. 60, # 24 p. 5185 - 5199

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   46.61
  • LogP   1.8934
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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