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Ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate

  • CAS No. 625120-13-0

  • Cat. No. CS-0567068
  • Purity≥95%
  • MDL No.MFCD18250570

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

Ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate|CS-0567068

Structure of 625120-13-0

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General Information

  • CAS No. 625120-13-0
  • Cat. No. CS-0567068
  • Purity ≥95%
  • MDL No. MFCD18250570
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆F₃NO₃
  • Molecular Weight 209.12
  • Synonym(s) Ethyl 5-(trifluoromethyl)-1,2-oxazole-3-carboxylate
  • SMILES O=C(C1=NOC(C(F)(F)F)=C1)OCC

Synthesis

  • Route1
    • null|null
      1514-82-5
    • In-stock
      Ethyl 2-chloro-2-(hydroxyimino)acetate|CS-D1024
      14337-43-0
    • ~65%
    • In-stock
      Ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate|CS-0567068
      625120-13-0

    References

    • Piotrowski, David W.; Rogers, Bruce N.; McWhorter JR., William W.; Walker, Daniel Patrick; Corbett, Jeffrey W.; Groppi JR., Vincent E.; Rudmann, Daniel G. Patent: US2003/236287 A1, 2003 ; Location in patent: Page 49 ; US 20030236287 A1
  • Route2

    References

    • Hebeisen, Paul; Matile, Hugues; Roever, Stephan; Wright, Matthew; Jensen, Sannah Zoffmann Patent: US2012/65212 A1, 2012 ; Location in patent: Page/Page column 31 ; US 20120065212 A1
  • Route3

    References

    • F. HOFFMANN-LA ROCHE AG; HEBEISEN, Paul; ZOFFMANN JENSEN, Sannah; MATILE, Hugues; ROEVER, Stephan; WRIGHT, Matthew Patent: WO2012/32018 A1, 2012 ; Location in patent: Page/Page column 66 ; WO 2012/032018 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-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   52.33
  • LogP   1.8701
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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