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CS-W001157 4
Total: USD 88.00

5-Chloro-6-isopropoxynicotinic acid

  • CAS No. 187401-45-2

  • Cat. No. CS-0143654
  • Purity≥97%
  • MDL No.MFCD09811921

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

5-Chloro-6-isopropoxynicotinic acid|CS-0143654

Structure of 187401-45-2

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General Information

  • CAS No. 187401-45-2
  • Cat. No. CS-0143654
  • Purity ≥97%
  • MDL No. MFCD09811921
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀ClNO₃
  • Molecular Weight 215.63
  • Synonym(s) 3-Pyridinecarboxylic acid, 5-chloro-6-(1-methylethoxy)-
  • SMILES CC(OC1=NC=C(C=C1Cl)C(O)=O)C

Synthesis

  • Route1
    • 5,6-Dichloronicotinic acid Avatrombopag Impurity|CS-0377431
      41667-95-2
    • null|null
      67-63-0
    • ~%
    • 5-Chloro-6-isopropoxynicotinic acid|CS-0143654
      187401-45-2

    References

    • ACTELION PHARMACEUTICALS LTD Patent: WO2008/29370 A1, 2008 ; Location in patent: Page/Page column 28; 29 ;
  • Route2
    • null|null
      187401-46-3
    • ~98%
    • 5-Chloro-6-isopropoxynicotinic acid|CS-0143654
      187401-45-2

    References

    • Demont, Emmanuel H.; Andrews, Benjamin I.; Bit, Rino A.; Campbell, Colin A.; Cooke, Jason W. B.; Deeks, Nigel; Desai, Sapna; Dowell, Simon J.; Gaskin, Pam; Gray, James R. J.; Haynes, Andrea; Holmes, Duncan S.; Kumar, Umesh; Morse, Mary A.; Osborne, Greg J.; Panchal, Terry; Patel, Bela; Perboni, Alcide; Taylor, Simon; Watson, Robert; Witherington, Jason; Willis, Robert ACS Medicinal Chemistry Letters, 2011 , vol. 2, # 6 p. 444 - 449
  • Route3
    • 5-Chloro-6-oxo-1,6-dihydropyridine-3-carboxylic acid Avatrombopag Impurity|CS-0377312
      54127-63-8
    • ~%
    • 5-Chloro-6-isopropoxynicotinic acid|CS-0143654
      187401-45-2

    References

    • Demont, Emmanuel H.; Andrews, Benjamin I.; Bit, Rino A.; Campbell, Colin A.; Cooke, Jason W. B.; Deeks, Nigel; Desai, Sapna; Dowell, Simon J.; Gaskin, Pam; Gray, James R. J.; Haynes, Andrea; Holmes, Duncan S.; Kumar, Umesh; Morse, Mary A.; Osborne, Greg J.; Panchal, Terry; Patel, Bela; Perboni, Alcide; Taylor, Simon; Watson, Robert; Witherington, Jason; Willis, Robert ACS Medicinal Chemistry Letters, 2011 , vol. 2, # 6 p. 444 - 449

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   59.42
  • LogP   2.2204
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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