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CS-W001157 4
Total: USD 88.00

4-(Morpholinomethyl)-3-(trifluoromethyl)benzoic acid

  • CAS No. 934020-34-5

  • Cat. No. CS-0101750
  • Purity≥98%
  • MDL No.None

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

4-(Morpholinomethyl)-3-(trifluoromethyl)benzoic acid|CS-0101750

Structure of 934020-34-5

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General Information

  • CAS No. 934020-34-5
  • Cat. No. CS-0101750
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄F₃NO₃
  • Molecular Weight 289.25
  • Synonym(s) 4-(4-Morpholinylmethyl)-3-(trifluoromethyl)benzoic acid
  • SMILES O=C(O)C1=CC=C(CN2CCOCC2)C(C(F)(F)F)=C1

Description

This morpholinomethyl-substituted trifluoromethyl benzoic acid features a polar, electron-rich morpholine ring linked via a methylene bridge to an electron-deficient aryl core. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid enables direct conjugation or derivatization in medicinal chemistry campaigns.

Application

4-(Morpholinomethyl)-3-(trifluoromethyl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive scaffolds through standard amide and ester formation. The morpholinomethyl group offers enhanced solubility and metabolic stability, while the trifluoromethyl moiety imparts strong electron-withdrawing character and improved membrane permeability. Its bench-stable carboxylic acid functionality facilitates straightforward derivatization and purification, making it well-suited for high-throughput synthesis campaigns and API development.

Safety Information

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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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   49.77
  • LogP   2.2358
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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