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CS-W001157 4
Total: USD 88.00

1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

  • CAS No. 4332-79-0

  • Cat. No. CS-0072269
  • Molecule weight229.23
  • Purity≥97%
  • MDL No.None

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

1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid|CS-0072269

Structure of 4332-79-0

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General Information

  • CAS No. 4332-79-0
  • Cat. No. CS-0072269
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁NO₃
  • Molecular Weight 229.23
  • Synonym(s) IFLAB-BB F2143-0001
  • SMILES O=C1C=CC(C(O)=O)=CN1CC2=CC=CC=C2

Synthesis

  • Route1
    • 6-Hydroxynicotinic acid Avatrombopag Impurity|CS-0377520
      5006-66-6
    • null|null
      100-39-0
    • ~61%
    • 1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid|CS-0072269
      4332-79-0

    References

    • ENCYSIVE PHARMACEUTICALS, INC. Patent: WO2008/79371 A1, 2008 ; Location in patent: Page/Page column 110 ; WO 2008/079371 A1
  • Route2
    • null|null
      32684-80-3
    • ~%
    • 1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid|CS-0072269
      4332-79-0

    References

    • Anderson; Berkelhammer Journal of the American Chemical Society, 1958 , vol. 80, p. 992,997
  • Route3
    • null|null
      107971-00-6
    • ~75%
    • 1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid|CS-0072269
      4332-79-0

    References

    • Buurman; Van der Plas Journal of Heterocyclic Chemistry, 1986 , vol. 23, # 4 p. 1015 - 1018

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   59.3
  • LogP   1.5948
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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