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CS-W001157 4
Total: USD 88.00

1-(Pyridin-2-yl)-1h-pyrazole-4-carboxylic acid

  • CAS No. 77556-50-4

  • Cat. No. CS-0217717
  • Molecule weight189.17
  • Purity98+%
  • MDL No.None

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

1-(Pyridin-2-yl)-1h-pyrazole-4-carboxylic acid|CS-0217717

Structure of 77556-50-4

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General Information

  • CAS No. 77556-50-4
  • Cat. No. CS-0217717
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇N₃O₂
  • Molecular Weight 189.17
  • Synonym(s) OTAVA-BB 1182244
  • SMILES C1=CC=NC(=C1)N2C=C(C=N2)C(=O)O

Synthesis

  • Route1
    • Ethyl 1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate|CS-0464309
      171193-35-4
    • ~94%
    • 1-(Pyridin-2-yl)-1h-pyrazole-4-carboxylic acid|CS-0217717
      77556-50-4

    References

    • F. HOFFMANN-LA ROCHE AG; BLEICHER, Konrad; FLOHR, Alexander; GROEBKE ZBINDEN, Katrin; KOERNER, Matthias; KUHN, Bernd; PETERS, Jens-Uwe; RODRIGUEZ SARMIENTO, Rosa Maria; VIEIRA, Eric Patent: WO2011/89132 A1, 2011 ; Location in patent: Page/Page column 96 ; WO 2011/089132 A1
  • Route2
    • null|null
      109-09-1
    • ~%
    • 1-(Pyridin-2-yl)-1h-pyrazole-4-carboxylic acid|CS-0217717
      77556-50-4

    References

    • Warshakoon, Namal C.; Wu, Shengde; Boyer, Angelique; Kawamoto, Richard; Renock, Sean; Xu, Kevin; Pokross, Matthew; Evdokimov, Artem G.; Zhou, Songtao; Winter, Carol; Walter, Richard; Mekel, Marlene Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 21 p. 5687 - 5690
  • Route3

    References

    • Khan, Misbahul Ain; Pinto, Alvaro Augusto Alves Journal of Heterocyclic Chemistry, 1981 , vol. 18, p. 9 - 14

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

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Computational Chemistry Data

  • TPSA   68.01
  • LogP   0.9655
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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