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CS-W001157 4
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2-((Tert-butoxycarbonyl)amino)-3-(trifluoromethoxy)benzoic acid

  • CAS No. 561304-40-3

  • Cat. No. CS-0358422
  • Purity95+%
  • MDL No.None

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

2-((Tert-butoxycarbonyl)amino)-3-(trifluoromethoxy)benzoic acid|CS-0358422

Structure of 561304-40-3

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General Information

  • CAS No. 561304-40-3
  • Cat. No. CS-0358422
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄F₃NO₅
  • Molecular Weight 321.25
  • Synonym(s) 2-[(tert-Butoxycarbonyl)amino]-3-(trifluoromethoxy)benzoic acid
  • SMILES CC(C)(OC(NC1=C(C(O)=O)C=CC=C1OC(F)(F)F)=O)C

Synthesis

  • Route1
    • null|null
      124-38-9
    • Tert-butyl (2-(trifluoromethoxy)phenyl)carbamate|CS-0362793
      561304-39-0
    • ~81%
    • 2-((Tert-butoxycarbonyl)amino)-3-(trifluoromethoxy)benzoic acid|CS-0358422
      561304-40-3

    References

    • Pfizer Inc Patent: US2010/324043 A1, 2010 ; Location in patent: Page/Page column 73 ;
  • Route2

    References

    • Carter, Percy; Cherney, Robert Patent: US2003/60459 A1, 2003 ; US 20030060459 A1
  • Route3

    References

    • Leroux, Frederic; Castagnetti, Eva; Schlosser, Manfred Journal of Organic Chemistry, 2003 , vol. 68, # 12 p. 4693 - 4699

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   84.86
  • LogP   3.6304
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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