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CS-W001157 4
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4-Chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

  • CAS No. 821791-59-7

  • Cat. No. CS-0326344
  • Purity98+%
  • MDL No.None

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

4-Chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid|CS-0326344

Structure of 821791-59-7

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General Information

  • CAS No. 821791-59-7
  • Cat. No. CS-0326344
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆ClNO₃
  • Molecular Weight 187.58
  • Synonym(s) 4-chloro-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
  • SMILES CN1C=C(C(=CC1=O)Cl)C(=O)O

Synthesis

  • Route1

    References

    • WARNER-LAMBERT COMPANY LLC Patent: WO2005/818 A1, 2005 ; Location in patent: Page 92 ; WO 2005/000818 A1
  • Route2
    • Ethyl4-hydroxy-1-methyl-6-oxo-pyridine-3-carboxylate|CS-0309935
      853105-37-0
    • ~%
    • 4-Chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid|CS-0326344
      821791-59-7

    References

    • Wallace, Eli M.; Lyssikatos, Joseph; Blake, James F.; Seo, Jeongbeob; Yang, Hong Woon; Yeh, Tammie C.; Perrier, Michele; Jarski, Heidi; Marsh, Vivienne; Poch, Gregory; Livingston, Michelle Goyette; Otten, Jennifer; Hingorani, Gary; Woessner, Rich; Lee, Patrice; Winkler, James; Koch, Kevin Journal of Medicinal Chemistry, 2006 , vol. 49, # 2 p. 441 - 444
  • Route3

    References

    • Wallace, Eli M.; Lyssikatos, Joseph; Blake, James F.; Seo, Jeongbeob; Yang, Hong Woon; Yeh, Tammie C.; Perrier, Michele; Jarski, Heidi; Marsh, Vivienne; Poch, Gregory; Livingston, Michelle Goyette; Otten, Jennifer; Hingorani, Gary; Woessner, Rich; Lee, Patrice; Winkler, James; Koch, Kevin Journal of Medicinal Chemistry, 2006 , vol. 49, # 2 p. 441 - 444

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   59.3
  • LogP   0.7369
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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