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CS-W001157 4
Total: USD 88.00

2-(4-Fluorophenyl)-2-methylpropanoic acid

  • CAS No. 93748-19-7

  • Cat. No. CS-0094468
  • Molecule weight182.19
  • Purity≥96%
  • MDL No.MFCD11036916

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

2-(4-Fluorophenyl)-2-methylpropanoic acid|CS-0094468

Structure of 93748-19-7

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General Information

  • CAS No. 93748-19-7
  • Cat. No. CS-0094468
  • Purity ≥96%
  • MDL No. MFCD11036916
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁FO₂
  • Molecular Weight 182.19
  • Synonym(s) None
  • SMILES FC1=CC=C(C(C)(C)C(O)=O)C=C1

Description

This fluorinated aliphatic acid features a sterically hindered tert-butyl-like core paired with a para-fluorophenyl group, delivering enhanced metabolic stability and lipophilic character. It integrates readily into bioactive scaffolds requiring aromatic substitution and electron-withdrawing effects, enabling efficient access to pharmaceutical intermediates under standard conditions.

Application

2-(4-Fluorophenyl)-2-methylpropanoic acid serves as a valuable building block in medicinal chemistry, enabling the synthesis of bioactive molecules through standard amide and ester transformations. Its trifluoromethyl-like electronic profile and steric bulk enhance metabolic stability and lipophilicity in drug candidates. The compound exhibits excellent bench stability, facilitates straightforward purification via crystallization, and demonstrates broad compatibility with common coupling reagents in peptide and macrocycle synthesis.

Synthesis

  • Route1
    • Ethyl 2-(4-fluorophenyl)-2-methylpropanoate|CS-0684640
      1035261-07-4
    • ~%
    • In-stock
      2-(4-Fluorophenyl)-2-methylpropanoic acid|CS-0094468
      93748-19-7

    References

    • WO2008/76427 A2, ; Page/Page column 77-78 ;

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.1879
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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