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CS-W001157 4
Total: USD 88.00

2-[4-(difluoromethyl)phenyl]acetic acid

  • CAS No. 1000524-74-2

  • Cat. No. CS-0223622
  • Purity≥96%
  • MDL No.None

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

2-[4-(difluoromethyl)phenyl]acetic acid|CS-0223622

Structure of 1000524-74-2

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General Information

  • CAS No. 1000524-74-2
  • Cat. No. CS-0223622
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₂O₂
  • Molecular Weight 186.16
  • Synonym(s) None
  • SMILES O=C(O)CC1=CC=C(C(F)F)C=C1

Description

This difluoromethyl-substituted phenylacetic acid features a para-difluoromethyl group that imparts enhanced metabolic stability and lipophilicity. The carboxylic acid functionality enables direct conjugation or derivatization in synthetic routes. Its electron-withdrawing fluorine atoms modulate reactivity, making it valuable for medicinal chemistry applications requiring controlled release or targeted bioavailability.

Application

2-[4-(Difluoromethyl)phenyl]acetic acid serves as a valuable building block for bioactive heterocycles and pharmaceutical scaffolds, enabling efficient incorporation of a difluoromethyl group adjacent to an aromatic ring. Its stability under standard synthetic conditions and compatibility with diverse coupling reactions facilitate straightforward functionalization. The molecule functions as a versatile intermediate in medicinal chemistry campaigns targeting CNS agents and kinase inhibitors.

Safety Information

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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-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.2513
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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