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CS-W001157 4
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Methyl 2-(3-(trifluoromethyl)phenyl)acetate

  • CAS No. 62451-84-7

  • Cat. No. CS-W010479
  • Purity≥98%
  • MDL No.MFCD04039762

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

Methyl 2-(3-(trifluoromethyl)phenyl)acetate|CS-W010479

Structure of 62451-84-7

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General Information

  • CAS No. 62451-84-7
  • Cat. No. CS-W010479
  • Purity ≥98%
  • MDL No. MFCD04039762
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉F₃O₂
  • Molecular Weight 218.18
  • Synonym(s) Methyl 3-(Trifluoromethyl)Phenylacetate
  • SMILES COC(=O)CC1=CC(=CC=C1)C(F)(F)F

Description

Methyl 2-(3-(trifluoromethyl)phenyl)acetate features a trifluoromethyl-substituted phenyl ring linked to a methyl ester-functionalized acetic acid backbone. This electron-deficient aryl moiety enhances reactivity in cross-coupling transformations and serves as a key intermediate in pharmaceutical synthesis. The compound exhibits favorable stability under standard bench conditions and demonstrates good solubility in common organic solvents, facilitating its use in iterative synthetic sequences.

Application

Methyl 2-(3-(trifluoromethyl)phenyl)acetate serves as a versatile building block in medicinal chemistry, enabling efficient access to biologically active scaffolds. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the ester functionality facilitates downstream transformations such as hydrolysis, reduction, or coupling reactions. Its bench-stable nature and compatibility with common reaction conditions make it well-suited for multi-step synthesis workflows.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      3-(Trifluoromethyl)phenylacetic acid|CS-W015433
      351-35-9
    • ~99%
    • In-stock
      Methyl 2-(3-(trifluoromethyl)phenyl)acetate|CS-W010479
      62451-84-7

    References

    • Kalypsys, Inc. Patent: US2005/234046 A1, 2005 ; Location in patent: Page/Page column 97 ; US 20050234046 A1
  • Route2
    • null|null
      30359-53-6
    • ~%
    • In-stock
      Methyl 2-(3-(trifluoromethyl)phenyl)acetate|CS-W010479
      62451-84-7

    References

    • US4426536 A1, ;
  • Route3
    • In-stock
      1-Bromo-3-(trifluoromethyl)benzene|CS-W019942
      401-78-5
    • null|null
      96-34-4
    • ~61%
    • In-stock
      Methyl 2-(3-(trifluoromethyl)phenyl)acetate|CS-W010479
      62451-84-7

    References

    • Durandetti, Muriel; Gosmini, Corinne; Perichon, Jacques Tetrahedron, 2007 , vol. 63, # 5 p. 1146 - 1153

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.4209
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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