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CS-W001157 4
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Methyl 4-phenylbicyclo[2.2.2]Octane-1-carboxylate

  • CAS No. 23062-52-4

  • Cat. No. CS-0501970
  • Molecule weight244.33
  • Purity≥98%
  • MDL No.None

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

Methyl 4-phenylbicyclo[2.2.2]Octane-1-carboxylate|CS-0501970

Structure of 23062-52-4

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General Information

  • CAS No. 23062-52-4
  • Cat. No. CS-0501970
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₀O₂
  • Molecular Weight 244.33
  • Synonym(s) Bicyclo[2.2.2]octane-1-carboxylic acid, 4-phenyl-, methyl ester
  • SMILES COC(=O)C12CCC(CC1)(CC2)C1=CC=CC=C1

Synthesis

  • Route1

    References

    • Birch, Alan M.; Birtles, Susan; Buckett, Linda K.; Kemmitt, Paul D.; Smith, Graham J.; Smith, Tim J. D.; Turnbull, Andrew V.; Wang, Steven J. Y. Journal of Medicinal Chemistry, 2009 , vol. 52, # 6 p. 1558 - 1568
  • Route2

    References

    • Chapman,N.B. et al. Journal of Organic Chemistry, 1970 , vol. 35, p. 917 - 923
  • Route3
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    • Methyl 4-phenylbicyclo[2.2.2]Octane-1-carboxylate|CS-0501970
      23062-52-4

    References

    • Chapman,N.B. et al. Journal of Organic Chemistry, 1970 , vol. 35, p. 917 - 923

Safety Information

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.4516
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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