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Methyl 4-hydroxy-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate

  • CAS No. 121582-55-6

  • Cat. No. CS-0442486
  • Molecule weight314.22
  • Purity≥98%
  • MDL No.None

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

Methyl 4-hydroxy-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate|CS-0442486

Structure of 121582-55-6

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General Information

  • CAS No. 121582-55-6
  • Cat. No. CS-0442486
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉F₃N₂O₄
  • Molecular Weight 314.22
  • Synonym(s) METHYL 4-HYDROXY-6-OXO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1,6-DIHYDRO-3-PYRIDAZINECARBOXYLATE
  • SMILES COC(=O)C1=NN(C2=CC=CC(=C2)C(F)(F)F)C(=O)C=C1O

Synthesis

  • Route1
    • null|null
      121582-47-6
    • ~%
    • Methyl 4-hydroxy-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate|CS-0442486
      121582-55-6

    References

    • US2010/197651 A1, ; Page/Page column 66 ;
  • Route2

    References

    • Journal of Heterocyclic Chemistry, , vol. 26, p. 169 - 176
  • Route3
    • null|null
      98-16-8
    • ~%
    • Methyl 4-hydroxy-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylate|CS-0442486
      121582-55-6

    References

    • Journal of Heterocyclic Chemistry, , vol. 26, p. 169 - 176

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   81.42
  • LogP   1.7435
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   2

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