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CS-W001157 4
Total: USD 88.00

Methyl 2-amino-5-(trifluoromethyl)benzoate

  • CAS No. 117324-58-0

  • Cat. No. CS-W018625
  • Purity≥97%
  • MDL No.MFCD08234902

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

Methyl 2-amino-5-(trifluoromethyl)benzoate|CS-W018625

Structure of 117324-58-0

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General Information

  • CAS No. 117324-58-0
  • Cat. No. CS-W018625
  • Purity ≥97%
  • MDL No. MFCD08234902
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₃NO₂
  • Molecular Weight None
  • Synonym(s) methyl 5-trifluoromethyl-2-aminobenzoate
  • SMILES COC(C1=C(C=CC(=C1)C(F)(F)F)N)=O

Description

Methyl 2-amino-5-(trifluoromethyl)benzoate features a trifluoromethyl group enhancing electron-withdrawal and metabolic stability, paired with a primary amine enabling facile derivatization. This ortho-substituted scaffold integrates readily into pharmaceutical intermediates, offering improved solubility and reactivity under standard conditions.

Application

Methyl 2-amino-5-(trifluoromethyl)benzoate serves as a versatile building block in medicinal chemistry, enabling the synthesis of biologically active heterocycles and pharmaceutical intermediates. Its ortho-amino and trifluoromethyl groups provide complementary reactivity for electrophilic substitution, coupling reactions, and transition-metal-catalyzed transformations. The methyl ester facilitates downstream derivatization, while the molecule exhibits good bench stability and compatibility with standard purification methods.

Synthesis

  • Route1
    • null|null
      67-56-1
    • null|null
      201230-82-2
    • In-stock
      2-Bromo-4-(trifluoromethyl)aniline|CS-W004796
      57946-63-1
    • ~86%
    • In-stock
      Methyl 2-amino-5-(trifluoromethyl)benzoate|CS-W018625
      117324-58-0

    References

    • WO2005/37796 A1, ; Page/Page column 138 ;
  • Route2
    • null|null
      67-56-1
    • null|null
      201230-82-2
    • In-stock
      4-Amino-3-iodobenzotrifluoride|CS-W007562
      163444-17-5
    • ~%
    • In-stock
      Methyl 2-amino-5-(trifluoromethyl)benzoate|CS-W018625
      117324-58-0

    References

    • EP1736465 A1, ; Page/Page column 34 ;
  • Route3
    • null|null
      67-56-1
    • ~%
    • In-stock
      Methyl 2-amino-5-(trifluoromethyl)benzoate|CS-W018625
      117324-58-0

    References

    • US2005/54627 A1, ; Page/Page column 38 ; US 20050054627 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   2.0742
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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