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Ethyl 5-(pyridin-3-yl)-1H-pyrazole-3-carboxylate

  • CAS No. 251658-58-9

  • Cat. No. CS-0208216
  • Purity≥95%
  • MDL No.MFCD08690166

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

Ethyl 5-(pyridin-3-yl)-1H-pyrazole-3-carboxylate|CS-0208216

Structure of 251658-58-9

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General Information

  • CAS No. 251658-58-9
  • Cat. No. CS-0208216
  • Purity ≥95%
  • MDL No. MFCD08690166
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁N₃O₂
  • Molecular Weight 217.22
  • Synonym(s) Ethyl 3-(pyridin-3-YL)-1H-pyrazole-5-carboxylate
  • SMILES CCOC(=O)C1=NNC(=C1)C2=CN=CC=C2

Synthesis

  • Route1

    References

    • Bischoff, Alexander; Subramanya, Hosahalli; Sundaresan, Kumar; Sammeta, Srinivasa Raju; Vaka, Anil Kumar Patent: US2010/160323 A1, 2010 ; Location in patent: Page/Page column 36 ; US 20100160323 A1
  • Route2
    • 1-(Pyridin-3-yl)ethanone Imatinib Impurity|CS-0229620
      350-03-8
    • ~%
    • Ethyl 5-(pyridin-3-yl)-1H-pyrazole-3-carboxylate|CS-0208216
      251658-58-9

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 10, # 11 p. 1211 - 1214

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   67.87
  • LogP   1.6484
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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