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CS-W001157 4
Total: USD 88.00

Ethyl 2-(4-(trifluoromethyl)phenyl)acetate

  • CAS No. 721-63-1

  • Cat. No. CS-W012938
  • Purity≥98%
  • MDL No.MFCD07779351

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

Ethyl 2-(4-(trifluoromethyl)phenyl)acetate|CS-W012938

Structure of 721-63-1

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General Information

  • CAS No. 721-63-1
  • Cat. No. CS-W012938
  • Purity ≥98%
  • MDL No. MFCD07779351
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁F₃O₂
  • Molecular Weight 232.20
  • Synonym(s) ETHYL 4-(TRIFLUOROMETHYL)PHENYL ACETATE
  • SMILES O=C(OCC)CC1=CC=C(C(F)(F)F)C=C1

Description

Ethyl 2-(4-(trifluoromethyl)phenyl)acetate features a trifluoromethyl-substituted phenyl group that imparts strong electron-withdrawing character, enhancing reactivity in conjugate addition and coupling processes. The ester functionality enables straightforward derivatization, while the overall structure offers improved solubility and stability under standard bench conditions.

Application

Ethyl 2-(4-(trifluoromethyl)phenyl)acetate serves as a versatile building block in medicinal chemistry, enabling efficient access to biaryl scaffolds via standard cross-coupling reactions. The trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, while the ester functionality facilitates straightforward derivatization. Bench-stable and compatible with common reaction conditions, it functions effectively in palladium-catalyzed couplings and reduction protocols for downstream synthesis of pharmacologically relevant compounds.

Synthesis

  • Route1

    References

    • Tetrahedron, , vol. 68, # 9 p. 2113 - 2120
  • Route2
    • In-stock
      3-Ethoxy-3-oxopropanoic acid potassium|CS-D1444
      6148-64-7
    • null|null
      98-56-6
    • ~62%
    • In-stock
      Ethyl 2-(4-(trifluoromethyl)phenyl)acetate|CS-W012938
      721-63-1

    References

    • Tetrahedron, , vol. 68, # 9 p. 2113 - 2120
  • Route3
    • null|null
      64-17-5
    • In-stock
      4-(Trifluoromethyl)phenylacetic acid|CS-W015432
      32857-62-8
    • ~%
    • In-stock
      Ethyl 2-(4-(trifluoromethyl)phenyl)acetate|CS-W012938
      721-63-1

    References

    • WO2008/76427 A2, ; Page/Page column 66 ;

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   26.3
  • LogP   2.811
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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