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CS-W001157 4
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2,2-Difluoro-2-(4-methoxyphenyl)acetic acid

  • CAS No. 1027513-97-8

  • Cat. No. CS-B1112
  • Molecule weight202.15
  • Purity≥97%
  • MDL No.MFCD11007700

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

2,2-Difluoro-2-(4-methoxyphenyl)acetic acid|CS-B1112

Structure of 1027513-97-8

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General Information

  • CAS No. 1027513-97-8
  • Cat. No. CS-B1112
  • Purity ≥97%
  • MDL No. MFCD11007700
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₂O₃
  • Molecular Weight 202.15
  • Synonym(s) alpha,alpha-Difluoro-2-(4-methoxyphenyl)aceticAcid
  • SMILES O=C(O)C(F)(F)C1=CC=C(OC)C=C1

Description

This difluorinated acetic acid derivative features a para-methoxyphenyl group that enhances solubility and modulates electronic properties. The geminal difluoro substitution imparts metabolic stability and influences conformational rigidity, making it valuable in bioactive molecule design.

Application

2,2-Difluoro-2-(4-methoxyphenyl)acetic acid serves as a valuable building block in medicinal chemistry, enabling the synthesis of fluorinated aromatic carboxylic acids. Its difluoromethyl group imparts enhanced metabolic stability and modulates lipophilicity, while the para-methoxyphenyl moiety provides a handle for further functionalization. The compound exhibits good bench stability and facilitates efficient coupling reactions, making it well-suited for use in drug discovery campaigns targeting CNS and oncology therapeutics.

Synthesis

  • Route1

    References

    • Mizuta, Satoshi; Stenhagen, Ida S.R.; O'Duill, Miriam; Wolstenhulme, Jamie; Kirjavainen, Anna K.; Forsback, Sarita J.; Tredwell, Matthew; Sandford, Graham; Moore, Peter R.; Huiban, Mickael; Luthra, Sajinder K.; Passchier, Jan; Solin, Olof; Gouverneur, Veronique Organic Letters, 2013 , vol. 15, # 11 p. 2648 - 2651
  • Route2

    References

    • Mizuta, Satoshi; Stenhagen, Ida S.R.; O'Duill, Miriam; Wolstenhulme, Jamie; Kirjavainen, Anna K.; Forsback, Sarita J.; Tredwell, Matthew; Sandford, Graham; Moore, Peter R.; Huiban, Mickael; Luthra, Sajinder K.; Passchier, Jan; Solin, Olof; Gouverneur, Veronique Organic Letters, 2013 , vol. 15, # 11 p. 2648 - 2651

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+P364-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.8716
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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