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CS-W001157 4
Total: USD 88.00

Methyl 3-amino-4-(trifluoromethoxy)benzoate

  • CAS No. 721-09-5

  • Cat. No. CS-0133282
  • Purity≥98%
  • MDL No.None

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

Methyl 3-amino-4-(trifluoromethoxy)benzoate|CS-0133282

Structure of 721-09-5

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General Information

  • CAS No. 721-09-5
  • Cat. No. CS-0133282
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₃NO₃
  • Molecular Weight 235.16
  • Synonym(s) Benzoic acid, 3-amino-4-(trifluoromethoxy)-, methyl ester
  • SMILES O=C(OC)C1=CC=C(OC(F)(F)F)C(N)=C1

Description

Methyl 3-amino-4-(trifluoromethoxy)benzoate features a trifluoromethoxy group that enhances metabolic stability and lipophilicity, while the para-amino functionality enables direct coupling in peptide and heterocyclic syntheses. This bench-stable derivative integrates readily into complex molecular architectures under standard conditions.

Application

Methyl 3-amino-4-(trifluoromethoxy)benzoate serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. The amino group facilitates electrophilic substitution and coupling reactions, while the trifluoromethoxy moiety imparts enhanced metabolic stability and lipophilicity. Its bench-stable nature and compatibility with standard amide coupling and Suzuki-Miyaura protocols make it well-suited for scalable API development.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   61.55
  • LogP   1.954
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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