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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethyl)isoxazol-5-amine

  • CAS No. 108655-63-6

  • Cat. No. CS-W006573
  • Purity≥96%
  • MDL No.MFCD04972407

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

3-(Trifluoromethyl)isoxazol-5-amine|CS-W006573

Structure of 108655-63-6

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General Information

  • CAS No. 108655-63-6
  • Cat. No. CS-W006573
  • Purity ≥96%
  • MDL No. MFCD04972407
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃F₃N₂O
  • Molecular Weight 152.07
  • Synonym(s) 5-Isoxazolamine,3-(trifluoromethyl)-(9CI)
  • SMILES NC1=CC(C(F)(F)F)=NO1

Synthesis

  • Route1
    • null|null
      151-50-8
    • null|null
      117341-57-8
    • ~37%
    • In-stock
      3-(Trifluoromethyl)isoxazol-5-amine|CS-W006573
      108655-63-6

    References

    • DECIPHERA PHARMACEUTICALS, LLC Patent: WO2008/33999 A2, 2008 ; Location in patent: Page/Page column 85 ;
  • Route2
    • null|null
      431-47-0
    • ~%
    • In-stock
      3-(Trifluoromethyl)isoxazol-5-amine|CS-W006573
      108655-63-6

    References

    • US5082947 A1, ;
  • Route3
    • null|null
      110234-78-1
    • ~11%
    • In-stock
      3-(Trifluoromethyl)isoxazol-5-amine|CS-W006573
      108655-63-6

    References

    • Rowbottom, Martin W.; Faraoni, Raffaella; Chao, Qi; Campbell, Brian T.; Lai, Andiliy G.; Setti, Eduardo; Ezawa, Maiko; Sprankle, Kelly G.; Abraham, Sunny; Tran, Lan; Struss, Brian; Gibney, Michael; Armstrong, Robert C.; Gunawardane, Ruwanthi N.; Nepomuceno, Ronald R.; Valenta, Ianina; Hua, Helen; Gardner, Michael F.; Cramer, Merryl D.; Gitnick, Dana; Insko, Darren E.; Apuy, Julius L.; Jones-Bolin, Susan; Ghose, Arup K.; Herbertz, Torsten; Ator, Mark A.; Dorsey, Bruce D.; Ruggeri, Bruce; Williams, Michael; Bhagwat, Shripad; James, Joyce; Holladay, Mark W. Journal of Medicinal Chemistry, 2012 , vol. 55, # 3 p. 1082 - 1105

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.05
  • LogP   1.2756
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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