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CS-W001157 4
Total: USD 88.00

Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate

  • CAS No. 144740-55-6

  • Cat. No. CS-0217312
  • Molecule weight221.13
  • Purity≥98%
  • MDL No.None

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

Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate|CS-0217312

Structure of 144740-55-6

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General Information

  • CAS No. 144740-55-6
  • Cat. No. CS-0217312
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₃
  • Molecular Weight 221.13
  • Synonym(s) Methyl 2-oxo-6-(trifluoromethyl)-1h-pyridine-3-carboxylate
  • SMILES COC(=O)C1=C(N=C(C=C1)C(F)(F)F)O

Synthesis

  • Route1
    • In-stock
      Methyl 3-amino-3-oxopropanoate|CS-W022821
      51513-29-2
    • null|null
      120407-73-0
    • ~67%
    • In-stock
      Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate|CS-0217312
      144740-55-6

    References

    • Ziemer, Frank; Willms, Lothar; Rosinger, Christopher; Auler, Thomas; Hacker, Erwin; Bickers, Udo Patent: US2008/269059 A1, 2008 ; Location in patent: Page/Page column 19 ;
  • Route2
    • Ethyl 3-amino-3-oxopropanoate Tofacitinib Impurity|CS-0167588
      7597-56-0
    • (E)-4-butoxy-1,1,1-trifluorobut-3-en-2-one|CS-0440785
      109317-78-4
    • ~73%
    • In-stock
      Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate|CS-0217312
      144740-55-6

    References

    • E. I. Du Pont de Nemours and Company Patent: US5393734 A1, 1995 ;
  • Route3
    • null|null
      59938-06-6
    • In-stock
      Methyl 3-amino-3-oxopropanoate|CS-W022821
      51513-29-2
    • ~%
    • In-stock
      Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate|CS-0217312
      144740-55-6

    References

    • SOLVAY SA; BRAUN, Max Patent: WO2010/37688 A1, 2010 ; Location in patent: Page/Page column 9 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   59.42
  • LogP   1.5926
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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