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CS-W001157 4
Total: USD 88.00

4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid

  • CAS No. 953-69-5

  • Cat. No. CS-0092262
  • Molecule weight230.30
  • Purity95+%
  • MDL No.None

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

4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid|CS-0092262

Structure of 953-69-5

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General Information

  • CAS No. 953-69-5
  • Cat. No. CS-0092262
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₈O₂
  • Molecular Weight 230.30
  • Synonym(s) 1-Carboxy-4-phenyl-bicyclooctan
  • SMILES O=C(C1(CC2)CCC2(C3=CC=CC=C3)CC1)O

Synthesis

  • Route1
    • Methyl 4-phenylbicyclo[2.2.2]Octane-1-carboxylate|CS-0501970
      23062-52-4
    • ~92%
    • 4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid|CS-0092262
      953-69-5

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2007/71966 A1, 2007 ; Location in patent: Page/Page column 36 ; WO 2007/071966 A1
  • Route2
    • 1-Bromo-4-phenylbicyclo[2.2.2]Octane|CS-0494479
      714-68-1
    • ~%
    • 4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid|CS-0092262
      953-69-5

    References

    • Holtz,H.D.; Stock,L.M. Journal of the American Chemical Society, 1964 , vol. 86, p. 5183 - 5188

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   37.3
  • LogP   3.3632
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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