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CS-W001157 4
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2-((tert-Butoxycarbonyl)amino)-5-(trifluoromethyl)benzoic acid

  • CAS No. 141940-29-6

  • Cat. No. CS-0154438
  • Purity≥96%
  • MDL No.MFCD09859761

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

2-((tert-Butoxycarbonyl)amino)-5-(trifluoromethyl)benzoic acid|CS-0154438

Structure of 141940-29-6

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General Information

  • CAS No. 141940-29-6
  • Cat. No. CS-0154438
  • Purity ≥96%
  • MDL No. MFCD09859761
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄F₃NO₄
  • Molecular Weight 305.25
  • Synonym(s) N-BOC-5-TRIFLUOROMETHYLANTHRANILIC ACID
  • SMILES CC(C)(OC(NC1=C(C(O)=O)C=C(C(F)(F)F)C=C1)=O)C

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      tert-Butyl (4-(trifluoromethyl)phenyl)carbamate|CS-M2831
      141940-37-6
    • ~85%
    • In-stock
      2-((tert-Butoxycarbonyl)amino)-5-(trifluoromethyl)benzoic acid|CS-0154438
      141940-29-6

    References

    • LABORATORIOS ALMIRALL, S.A. Patent: WO2009/21696 A1, 2009 ; Location in patent: Page/Page column 68-69 ; WO 2009/021696 A1
  • Route2
    • 4-(Trifluoromethyl)aniline Leflunomide Impurity|CS-0229655
      455-14-1
    • ~%
    • In-stock
      2-((tert-Butoxycarbonyl)amino)-5-(trifluoromethyl)benzoic acid|CS-0154438
      141940-29-6

    References

    • Joensson, Stig; Andersson, Gunnar; Fex, Tomas; Fristedt, Tomas; Hedlund, Gunnar; Jansson, Karl; Abramo, Lisbeth; Fritzson, Ingela; Pekarski, Olga; Runstroem, Anna; Sandin, Helena; Thuvesson, Ingela; Bjoerk, Anders Journal of Medicinal Chemistry, 2004 , vol. 47, # 8 p. 2075 - 2088
  • Route3

    References

    • Joensson, Stig; Andersson, Gunnar; Fex, Tomas; Fristedt, Tomas; Hedlund, Gunnar; Jansson, Karl; Abramo, Lisbeth; Fritzson, Ingela; Pekarski, Olga; Runstroem, Anna; Sandin, Helena; Thuvesson, Ingela; Bjoerk, Anders Journal of Medicinal Chemistry, 2004 , vol. 47, # 8 p. 2075 - 2088

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501

Quality Control

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Computational Chemistry Data

  • TPSA   75.63
  • LogP   3.7506
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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