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6-Methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxylic acid

  • CAS No. 694479-56-6

  • Cat. No. CS-0454989
  • Molecule weight297.23
  • Purity≥98%
  • MDL No.None

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

6-Methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxylic acid|CS-0454989

Structure of 694479-56-6

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General Information

  • CAS No. 694479-56-6
  • Cat. No. CS-0454989
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₀F₃NO₃
  • Molecular Weight 297.23
  • Synonym(s) 6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
  • SMILES CC1=CC=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)O

Synthesis

  • Route1

    References

    • ASTRAZENECA AB Patent: WO2007/129962 A1, 2007 ; Location in patent: Page/Page column 50 ; WO 2007/129962 A1
  • Route2

    References

    • AstraZeneca AB Patent: US2011/82155 A1, 2011 ; Location in patent: Page/Page column 23 ; US 20110082155 A1
  • Route3
    • null|null
      98-16-8
    • ~%
    • 6-Methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxylic acid|CS-0454989
      694479-56-6

    References

    • AstraZeneca AB Patent: US2011/82155 A1, 2011 ; US 20110082155 A1

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
Precautionary Statements : P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   59.3
  • LogP   2.86292
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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