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4-(Pyridin-2-yl)benzoic acid Atazanavir Impurity

  • CAS No. 4385-62-0

  • Cat. No. CS-0228763
  • Purity≥98%
  • MDL No.MFCD01830093

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

4-(Pyridin-2-yl)benzoic acid Atazanavir  Impurity|CS-0228763

Structure of 4385-62-0

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General Information

  • CAS No. 4385-62-0
  • Cat. No. CS-0228763
  • Purity ≥98%
  • MDL No. MFCD01830093
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉NO₂
  • Molecular Weight None
  • Synonym(s) benzoic acid, 4-(2-pyridinyl)-
  • SMILES O=C(O)C1=CC=C(C2=NC=CC=C2)C=C1

Synthesis

  • Route1

    References

    • LEAD THERAPEUTICS, INC. Patent: US2009/197863 A1, 2009 ; Location in patent: Page/Page column 73 ;
  • Route2
    • 2-(4-Methylphenyl)pyridine|CS-0653707
      4467-06-5
    • ~96%
    • 4-(Pyridin-2-yl)benzoic acid Atazanavir  Impurity|CS-0228763
      4385-62-0

    References

    • Jary, Walther; Poechlauer, Peter; Ganglberger, Thorsten Patent: US2003/216577 A1, 2003 ; Location in patent: Page/Page column 4 ;
  • Route3
    • 4-Pyridin-2-yl-benzaldehyde Atazanavir  Impurity|CS-0228761
      127406-56-8
    • ~%
    • 4-(Pyridin-2-yl)benzoic acid Atazanavir  Impurity|CS-0228763
      4385-62-0

    References

    • Concert Pharmaceuticals Inc. Patent: EP2003120 A1, 2008 ; Location in patent: Page/Page column 20; 35; 37 ; EP 2003120 A1

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   2.4468
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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