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CS-W001157 4
Total: USD 88.00

6-((2,2,2-Trifluoroethoxy)methyl)nicotinic acid

  • CAS No. 1072855-75-4

  • Cat. No. CS-0367212
  • Purity98+%
  • MDL No.None

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

6-((2,2,2-Trifluoroethoxy)methyl)nicotinic acid|CS-0367212

Structure of 1072855-75-4

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General Information

  • CAS No. 1072855-75-4
  • Cat. No. CS-0367212
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₃NO₃
  • Molecular Weight 235.16
  • Synonym(s) 6-[(2,2,2-trifluoroethoxy)methyl]pyridine-3-carboxylic acid
  • SMILES C1=CC(=NC=C1C(=O)O)COCC(F)(F)F

Synthesis

  • Route1
    • null|null
      588720-36-9
    • null|null
      75-89-8
    • ~70%
    • 6-((2,2,2-Trifluoroethoxy)methyl)nicotinic acid|CS-0367212
      1072855-75-4

    References

    • ASTRAZENECA AB; AURELL, Carl-Johan; BESIDSKI, Yevgeni; KERS, Inger; NYLOeF, Martin Patent: WO2012/39657 A1, 2012 ; Location in patent: Page/Page column 14 ; WO 2012/039657 A1
  • Route2

    References

    • ASTRAZENECA AB; AURELL, Carl-Johan; BESIDSKI, Yevgeni; KERS, Inger; NYLOeF, Martin Patent: WO2012/39657 A1, 2012 ; WO 2012/039657 A1

Safety Information

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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   59.42
  • LogP   1.8587
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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