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CS-W001157 4
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5-(3,4-Difluorophenyl)isoxazole-3-carboxylic acid

  • CAS No. 1017513-51-7

  • Cat. No. CS-0076646
  • Purity≥97%
  • MDL No.MFCD07377121

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

5-(3,4-Difluorophenyl)isoxazole-3-carboxylic acid|CS-0076646

Structure of 1017513-51-7

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General Information

  • CAS No. 1017513-51-7
  • Cat. No. CS-0076646
  • Purity ≥97%
  • MDL No. MFCD07377121
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₅F₂NO₃
  • Molecular Weight 225.15
  • Synonym(s) 5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid
  • SMILES O=C(O)C1=NOC(C2=CC=C(C(F)=C2)F)=C1

Synthesis

  • Route1
    • Methyl 5-(3,4-difluorophenyl)isoxazole-3-carboxylate|CS-0875914
      1416981-41-3
    • ~%
    • 5-(3,4-Difluorophenyl)isoxazole-3-carboxylic acid|CS-0076646
      1017513-51-7

    References

    • Kamal, Ahmed; Tamboli, Jaki R.; Vishnuvardhan; Adil; Nayak, V. Lakshma; Ramakrishna Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 1 p. 273 - 280
  • Route2

    References

    • Kamal, Ahmed; Tamboli, Jaki R.; Vishnuvardhan; Adil; Nayak, V. Lakshma; Ramakrishna Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 1 p. 273 - 280
  • Route3
    • null|null
      1039930-31-8
    • ~%
    • 5-(3,4-Difluorophenyl)isoxazole-3-carboxylic acid|CS-0076646
      1017513-51-7

    References

    • Kamal, Ahmed; Tamboli, Jaki R.; Vishnuvardhan; Adil; Nayak, V. Lakshma; Ramakrishna Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 1 p. 273 - 280

Safety Information

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   2.318
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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