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CS-W001157 4
Total: USD 88.00

2-Oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile

  • CAS No. 116548-04-0

  • Cat. No. CS-0133780
  • Purity≥97%
  • MDL No.MFCD09749653

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

2-Oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile|CS-0133780

Structure of 116548-04-0

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General Information

  • CAS No. 116548-04-0
  • Cat. No. CS-0133780
  • Purity ≥97%
  • MDL No. MFCD09749653
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₃N₂O
  • Molecular Weight 188.11
  • Synonym(s) 3-CYANO-6-(TRIFLUOROMETHYL)-2-PYRIDONE
  • SMILES N#CC1=CC=C(C(F)(F)F)NC1=O

Synthesis

  • Route1
    • null|null
      59938-06-6
    • null|null
      107-91-5
    • ~75%
    • 2-Oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile|CS-0133780
      116548-04-0

    References

    • Journal of Medicinal Chemistry, , vol. 55, # 19 p. 8392 - 8408,17 Journal of Medicinal Chemistry, , vol. 55, # 19 p. 8392 - 8408
  • Route2
    • (E)-4-butoxy-1,1,1-trifluorobut-3-en-2-one|CS-0440785
      109317-78-4
    • null|null
      107-91-5
    • ~51%
    • 2-Oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile|CS-0133780
      116548-04-0

    References

    • Helvetica Chimica Acta, , vol. 71, # 3 p. 596 - 601

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.65
  • LogP   1.26538
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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