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CS-W001157 4
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3-((4-Formylphenoxy)methyl)benzonitrile

  • CAS No. 229309-18-6

  • Cat. No. CS-0464849
  • Purity≥98%
  • MDL No.MFCD08753666

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

3-((4-Formylphenoxy)methyl)benzonitrile|CS-0464849

Structure of 229309-18-6

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General Information

  • CAS No. 229309-18-6
  • Cat. No. CS-0464849
  • Purity ≥98%
  • MDL No. MFCD08753666
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₁NO₂
  • Molecular Weight 237.25
  • Synonym(s) 3-[(4-Formylphenoxy)methyl]benzonitrile
  • SMILES C1=CC(=CC(=C1)COC2=CC=C(C=C2)C=O)C#N

Synthesis

  • Route1

    References

    • ELI LILLY AND COMPANY Patent: WO2005/90286 A1, 2005 ; Location in patent: Page/Page column 26-27 ; WO 2005/090286 A1
  • Route2
    • p-Hydroxybenzaldehyde Bisoprolol Impurity|CS-0229513
      123-08-0
    • ~29%
    • 3-((4-Formylphenoxy)methyl)benzonitrile|CS-0464849
      229309-18-6

    References

    • Amombo, Ghislaine Marlyse Okala; Kramer, Thomas; Lo Monte, Fabio; Goering, Stefan; Fach, Matthias; Smith, Steven; Kolb, Stephanie; Schubenel, Robert; Baumann, Karlheinz; Schmidt, Boris Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 24 p. 7634 - 7640

Safety Information

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   2.94978
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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