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CS-W001157 4
Total: USD 88.00

2-(2-Chloro-4-(trifluoromethyl)phenyl)acetic acid

  • CAS No. 601513-26-2

  • Cat. No. CS-0100012
  • Molecule weight238.59
  • Purity≥98%
  • MDL No.MFCD13194288

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

2-(2-Chloro-4-(trifluoromethyl)phenyl)acetic acid|CS-0100012

Structure of 601513-26-2

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General Information

  • CAS No. 601513-26-2
  • Cat. No. CS-0100012
  • Purity ≥98%
  • MDL No. MFCD13194288
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClF₃O₂
  • Molecular Weight 238.59
  • Synonym(s) 2-Chloro-4-trifluoromethylphenylacetic acid
  • SMILES O=C(O)CC1=CC=C(C(F)(F)F)C=C1Cl

Description

This acetic acid derivative features a chlorinated trifluoromethylphenyl moiety that imparts enhanced lipophilicity and metabolic stability. It serves as a key building block in the synthesis of pharmaceutical intermediates, particularly in kinase inhibitors and bioactive heterocycles. The ortho-chloro and para-trifluoromethyl groups synergistically modulate electronic properties and steric bulk, enabling precise tuning of molecular reactivity.

Application

2-(2-Chloro-4-(trifluoromethyl)phenyl)acetic acid serves as a valuable building block in medicinal chemistry, enabling the synthesis of bioactive molecules through established coupling reactions. Its trifluoromethyl and chlorophenyl groups confer enhanced metabolic stability and lipophilicity, while the carboxylic acid functionality facilitates direct derivatization or salt formation. The compound exhibits good bench stability and is compatible with standard purification methods, supporting efficient integration into multi-step synthetic sequences.

Synthesis

  • Route1
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      601513-27-3
    • ~%
    • In-stock
      2-(2-Chloro-4-(trifluoromethyl)phenyl)acetic acid|CS-0100012
      601513-26-2

    References

    • ACTELION PHARMACEUTICALS LTD; HILPERT, Kurt; HUBLER, Francis; KIMMERLIN, Thierry; MURPHY, Mark; RENNEBERG, Dorte; STAMM, Simon Patent: WO2013/14587 A1, 2013 ; Location in patent: Page/Page column 63-64 ; WO 2013/014587 A1
  • Route2

    References

    • Signal Pharmaceuticals, Inc. Patent: US6620838 B1, 2003 ;
  • Route3
    • null|null
      601513-27-3
    • null|null
      76-05-1
    • ~%
    • In-stock
      2-(2-Chloro-4-(trifluoromethyl)phenyl)acetic acid|CS-0100012
      601513-26-2

    References

    • MERCK SHARP and DOHME LIMITED; HOLLINGWORTH, Gregory, John; JONES, A., Brian; SPAREY, Timothy, Jason Patent: WO2005/49613 A1, 2005 ; Location in patent: Page/Page column 49 ; WO 2005/049613 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P280-P304+P340-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.9859
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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