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ethyl 5-amino-1-(2-fluorophenyl)pyrazole-4-carboxylate

  • CAS No. 618070-65-8

  • Cat. No. CS-0061564
  • Purity≥97%
  • MDL No.None

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

ethyl 5-amino-1-(2-fluorophenyl)pyrazole-4-carboxylate|CS-0061564

Structure of 618070-65-8

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General Information

  • CAS No. 618070-65-8
  • Cat. No. CS-0061564
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂FN₃O₂
  • Molecular Weight 249.24
  • Synonym(s) ethyl 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate
  • SMILES CCOC(=O)C1=C(N)N(C2=C(C=CC=C2)F)N=C1

Synthesis

  • Route1
    • null|null
      68350-76-5
    • (2-Fluorophenyl)hydrazine|CS-0464879
      2368-80-1
    • ~58%
    • In-stock
      ethyl 5-amino-1-(2-fluorophenyl)pyrazole-4-carboxylate|CS-0061564
      618070-65-8

    References

    • Das, Jagabandhu; Moquin, Robert V.; Dyckman, Alaric J.; Li, Tianle; Pitt, Sidney; Zhang, Rosemary; Shen, Ding Ren; McIntyre, Kim W.; Gillooly, Kathleen; Doweyko, Arthur M.; Newitt, John A.; Sack, John S.; Zhang, Hongjian; Kiefer, Susan E.; Kish, Kevin; McKinnon, Murray; Barrish, Joel C.; Dodd, John H.; Schieven, Gary L.; Leftheris, Katerina Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 23 p. 6886 - 6889

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

Quality Control

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Computational Chemistry Data

  • TPSA   70.14
  • LogP   1.7703
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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