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CS-W001157 4
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3-Fluoroadamantane-1-carboxylic acid

  • CAS No. 880-50-2

  • Cat. No. CS-0231767
  • Purity≥97%
  • MDL No.None

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

3-Fluoroadamantane-1-carboxylic acid|CS-0231767

Structure of 880-50-2

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General Information

  • CAS No. 880-50-2
  • Cat. No. CS-0231767
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅FO₂
  • Molecular Weight 198.23
  • Synonym(s) 1-Fluoro-3-adamantanecarboxylic acid
  • SMILES O=C(C12CC3(F)CC(C2)CC(C3)C1)O

Synthesis

  • Route1
    • Methyl 3-fluoroadamantane-1-carboxylate|CS-0230657
      1426-93-3
    • ~89%
    • 3-Fluoroadamantane-1-carboxylic acid|CS-0231767
      880-50-2

    References

    • Adcock, William; Kok, Gaik B. Journal of Organic Chemistry, 1987 , vol. 52, # 3 p. 356 - 364
  • Route2
    • Methyl 3-hydroxyadamantane-1-carboxylate|CS-0317328
      68435-07-4
    • ~%
    • 3-Fluoroadamantane-1-carboxylic acid|CS-0231767
      880-50-2

    References

    • Kolocouris, Antonios; Hansen, Raino K.; Broadhurst, R. William Journal of Medicinal Chemistry, 2004 , vol. 47, # 20 p. 4975 - 4978
  • Route3

    References

    • Amaoka, Yuuki; Nagatomo, Masanori; Inoue, Masayuki Organic Letters, 2013 , vol. 15, # 9 p. 2160 - 2163

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.3795
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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