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CS-W001157 4
Total: USD 88.00

Ethyl 2-(trifluoromethyl)nicotinate

  • CAS No. 208517-35-5

  • Cat. No. CS-0102861
  • Purity≥97%
  • MDL No.MFCD08741365

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

Ethyl 2-(trifluoromethyl)nicotinate|CS-0102861

Structure of 208517-35-5

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General Information

  • CAS No. 208517-35-5
  • Cat. No. CS-0102861
  • Purity ≥97%
  • MDL No. MFCD08741365
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₃NO₂
  • Molecular Weight 219.16
  • Synonym(s) 2-Trifluoromethyl-nicotinic acid ethyl ester
  • SMILES O=C(C1=CC=CN=C1C(F)(F)F)OCC

Synthesis

  • Route1
    • Ethyl (2E,4E)-5-(dimethylamino)-2-(2,2,2-trifluoroacetyl)penta-2,4-dienoate|CS-0602189
      1146961-22-9
    • ~87%
    • In-stock
      Ethyl 2-(trifluoromethyl)nicotinate|CS-0102861
      208517-35-5

    References

    • BIAL - PORTELA and CA., S.A. Patent: WO2009/54742 A2, 2009 ; Location in patent: Page/Page column 13-14 ;
  • Route2
    • null|null
      1022901-65-0
    • ~89%
    • In-stock
      Ethyl 2-(trifluoromethyl)nicotinate|CS-0102861
      208517-35-5

    References

    • Kiss, Laszlo E.; Ferreira, Humberto S.; Learmonth, David A. Organic Letters, 2008 , vol. 10, # 9 p. 1835 - 1837
  • Route3
    • null|null
      77152-08-0
    • Ethyl 2-chloronicotinate Flunixin Meglumine  Impurity|CS-0229001
      1452-94-4
    • ~30%
    • In-stock
      Ethyl 2-(trifluoromethyl)nicotinate|CS-0102861
      208517-35-5

    References

    • Lishchynskyi, Anton; Novikov, Maxim A.; Martin, Eddy; Escudero-Adan, Eduardo C.; Novak, Petr; Grushin, Vladimir V. Journal of Organic Chemistry, 2013 , vol. 78, # 22 p. 11126 - 11146

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-H320-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   2.2771
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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