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CS-W001157 4
Total: USD 88.00

Methyl 2-(3-fluorophenyl)acetate

  • CAS No. 64123-77-9

  • Cat. No. CS-0088534
  • Purity≥96%
  • MDL No.MFCD03093288

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

Methyl 2-(3-fluorophenyl)acetate|CS-0088534

Structure of 64123-77-9

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General Information

  • CAS No. 64123-77-9
  • Cat. No. CS-0088534
  • Purity ≥96%
  • MDL No. MFCD03093288
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉FO₂
  • Molecular Weight 168.16
  • Synonym(s) 3-Fluorophenylacetic Acid Methyl Ester
  • SMILES O=C(OC)CC1=CC=CC(F)=C1

Description

Methyl 2-(3-fluorophenyl)acetate features a fluorinated aromatic ring that enhances metabolic stability and modulates electronic properties. This bench-stable ester integrates readily into pharmaceutical intermediates, offering improved solubility and compatibility in transition-metal-catalyzed coupling reactions.

Application

Methyl 2-(3-fluorophenyl)acetate serves as a versatile building block in medicinal chemistry, enabling efficient access to biologically relevant arylacetic acid derivatives. Its fluorinated phenyl moiety enhances metabolic stability and modulates electronic properties, while the ester group facilitates straightforward hydrolysis or coupling reactions. The compound exhibits excellent bench stability and compatibility with standard synthetic transformations, making it well-suited for iterative synthesis workflows and API intermediate development.

Synthesis

  • Route1
    • In-stock
      2-(3-Fluorophenyl)acetic acid|CS-W004799
      331-25-9
    • null|null
      18107-18-1
    • ~%
    • In-stock
      Methyl 2-(3-fluorophenyl)acetate|CS-0088534
      64123-77-9

    References

    • WO2005/27837 A2, ; Page/Page column 46 ; WO 2005/027837 A2
  • Route2
    • null|null
      67-56-1
    • In-stock
      2-(3-Fluorophenyl)acetic acid|CS-W004799
      331-25-9
    • ~99%
    • In-stock
      Methyl 2-(3-fluorophenyl)acetate|CS-0088534
      64123-77-9

    References

    • Pour, Milan; Spulak, Marcel; Balsanek, Vojtech; Kunes, Jiri; Kubanova, Petra; Buchta, Vladimir Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 13 p. 2843 - 2866
  • Route3
    • null|null
      67-56-1
    • In-stock
      2-(2-Fluorophenyl)acetonitrile|CS-W013356
      326-62-5
    • ~%
    • In-stock
      Methyl 2-(3-fluorophenyl)acetate|CS-0088534
      64123-77-9

    References

    • WO2010/127855 A1, ; Page/Page column 131; 132 ;

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   1.5412
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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