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CS-W001157 4
Total: USD 88.00

methyl 2-[4-(trifluoromethyl)phenyl]acetate

  • CAS No. 135325-18-7

  • Cat. No. CS-0037997
  • Purity≥98%
  • MDL No.None

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

methyl 2-[4-(trifluoromethyl)phenyl]acetate|CS-0037997

Structure of 135325-18-7

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General Information

  • CAS No. 135325-18-7
  • Cat. No. CS-0037997
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉F₃O₂
  • Molecular Weight 218.17
  • Synonym(s) Benzeneacetic acid, 4-(trifluoroMethyl)-, Methyl ester
  • SMILES COC(=O)CC1=CC=C(C=C1)C(F)(F)F

Description

Methyl 2-[4-(trifluoromethyl)phenyl]acetate features a trifluoromethyl-substituted aryl group that imparts enhanced electron-withdrawal and metabolic stability. This ester integrates readily into synthetic sequences requiring hydrophobic, electron-deficient aromatic components. The methyl ester moiety enables straightforward derivatization under standard conditions.

Application

Methyl 2-[4-(trifluoromethyl)phenyl]acetate serves as a versatile building block in medicinal chemistry, enabling the synthesis of biologically active compounds through standard functional group transformations. The trifluoromethyl aryl moiety imparts enhanced metabolic stability and lipophilicity, while the ester functionality facilitates selective derivatization. Its bench-stable nature and compatibility with common coupling and reduction protocols make it ideal for modular scaffold construction in API development.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      4-(Trifluoromethyl)phenylacetic acid|CS-W015432
      32857-62-8
    • ~99%
    • In-stock
      methyl 2-[4-(trifluoromethyl)phenyl]acetate|CS-0037997
      135325-18-7

    References

    • Pour, Milan; Spulak, Marcel; Balsanek, Vojtech; Kunes, Jiri; Kubanova, Petra; Buchta, Vladimir Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 13 p. 2843 - 2866
  • Route2
    • In-stock
      4-(Trifluoromethyl)phenylacetic acid|CS-W015432
      32857-62-8
    • null|null
      18107-18-1
    • ~70%
    • In-stock
      methyl 2-[4-(trifluoromethyl)phenyl]acetate|CS-0037997
      135325-18-7

    References

    • BAYER PHARMA AKTIENGESELLSCHAFT Patent: US2012/172448 A1, 2012 ; Location in patent: Page/Page column 28 ;
  • Route3
    • In-stock
      1-Bromo-4-(trifluoromethyl)benzene|CS-W014220
      402-43-7
    • null|null
      96-34-4
    • ~87%
    • In-stock
      methyl 2-[4-(trifluoromethyl)phenyl]acetate|CS-0037997
      135325-18-7

    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-H315-H320-H335
Precautionary Statements : P264-P270-P330

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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