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CS-W001157 4
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Methyl 3-amino-4-(trifluoromethyl)benzoate

  • CAS No. 126541-82-0

  • Cat. No. CS-0044917
  • Purity≥96%
  • MDL No.MFCD14697987

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

Methyl 3-amino-4-(trifluoromethyl)benzoate|CS-0044917

Structure of 126541-82-0

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General Information

  • CAS No. 126541-82-0
  • Cat. No. CS-0044917
  • Purity ≥96%
  • MDL No. MFCD14697987
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₃NO₂
  • Molecular Weight 219.16
  • Synonym(s) None
  • SMILES O=C(OC)C1=CC=C(C(F)(F)F)C(N)=C1

Description

Methyl 3-amino-4-(trifluoromethyl)benzoate features a trifluoromethyl group enhancing electron-withdrawal and metabolic stability, paired with a primary amine enabling facile derivatization. This aromatic ester integrates readily into synthetic routes for pharmaceutical intermediates, offering improved solubility and reactivity under standard conditions.

Application

Methyl 3-amino-4-(trifluoromethyl)benzoate serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. The ortho-amino and trifluoromethyl groups provide strong electron-withdrawing and directing effects, facilitating palladium-catalyzed cross-couplings and cyclization reactions. Bench-stable and readily purified by chromatography or recrystallization, it functions efficiently in multi-step syntheses requiring selective functionalization.

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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