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CS-W001157 4
Total: USD 88.00

2-Amino-3-(trifluoromethyl)benzoic acid

  • CAS No. 313-12-2

  • Cat. No. CS-W009069
  • Purity≥95%
  • MDL No.MFCD00274210

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

2-Amino-3-(trifluoromethyl)benzoic acid|CS-W009069

Structure of 313-12-2

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General Information

  • CAS No. 313-12-2
  • Cat. No. CS-W009069
  • Purity ≥95%
  • MDL No. MFCD00274210
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₂
  • Molecular Weight 205.13
  • Synonym(s) 3-(α,α,α-Trifluoromethyl)anthranilic acid; 3-Trifluoromethylanthranilic acid; 2-Amino-3-trifluoromethylbenzoicacid
  • SMILES O=C(O)C1=CC=CC(C(F)(F)F)=C1N

Description

N-Fmoc-L-valine N-succinimidyl ester is useful for solid phase peptide synthesis techniques.

Application

2-Amino-3-(trifluoromethyl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-amino and trifluoromethyl functionalities offer complementary reactivity for palladium-catalyzed couplings, cyclizations, and derivatization. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable synthetic workflows in API development.

Synthesis

  • Route1

    References

    • Proceedings of the Royal Society of London, Series B: Biological Sciences, , vol. 148, p. 481,488 Journal of Organic Chemistry, , vol. 22, p. 29,32
  • Route2
    • 2-(Hydroxyimino)-N-[2-(trifluoromethyl)phenyl]acetamide|CS-0742724
      444-93-9
    • ~%
    • In-stock
      2-Amino-3-(trifluoromethyl)benzoic acid|CS-W009069
      313-12-2

    References

    • European Journal of Medicinal Chemistry, , vol. 29, # 10 p. 743 - 751
  • Route3

    References

    • Angewandte Chemie, , vol. 93, # 10 p. 914 - 915

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   63.32
  • LogP   1.9858
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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