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CS-W001157 4
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1-(4-Fluorophenyl)-2-(pyridin-4-yl)ethan-1-one

  • CAS No. 6576-05-2

  • Cat. No. CS-0268225
  • Molecule weight215.22
  • Purity≥98%
  • MDL No.MFCD03069461

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

1-(4-Fluorophenyl)-2-(pyridin-4-yl)ethan-1-one|CS-0268225

Structure of 6576-05-2

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General Information

  • CAS No. 6576-05-2
  • Cat. No. CS-0268225
  • Purity ≥98%
  • MDL No. MFCD03069461
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀FNO
  • Molecular Weight 215.22
  • Synonym(s) ethanone, 1-(4-fluorophenyl)-2-(4-pyridinyl)-
  • SMILES C1=C(C=CC(=C1)F)C(=O)CC2=CC=NC=C2

Synthesis

  • Route1
    • null|null
      108-89-4
    • In-stock
      Ethyl 4-fluorobenzoate|CS-W017810
      451-46-7
    • ~98%
    • In-stock
      1-(4-Fluorophenyl)-2-(pyridin-4-yl)ethan-1-one|CS-0268225
      6576-05-2

    References

    • Rupert, Kenneth C.; Henry, James R.; Dodd, John H.; Wadsworth, Scott A.; Cavender, Druie E.; Olini, Gilbert C.; Fahmy, Bohumila; Siekierka, John J. Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 3 p. 347 - 350
  • Route2

    References

    • J. URIACH Y COMPANIA S.A. Patent: WO2004/76450 A1, 2004 ; Location in patent: Page 37-38 ; WO 2004/076450 A1
  • Route3
    • null|null
      325770-31-8
    • null|null
      108-89-4
    • ~67%
    • In-stock
      1-(4-Fluorophenyl)-2-(pyridin-4-yl)ethan-1-one|CS-0268225
      6576-05-2

    References

    • Takeda Chemical Industries, Ltd. Patent: EP1402900 A1, 2004 ;

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   2.6461
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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