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CS-W001157 4
Total: USD 88.00

2-(4-Cyanophenoxy)acetic acid

  • CAS No. 1878-82-6

  • Cat. No. CS-0102795
  • Purity≥98%
  • MDL No.MFCD01250758

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

2-(4-Cyanophenoxy)acetic acid|CS-0102795

Structure of 1878-82-6

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General Information

  • CAS No. 1878-82-6
  • Cat. No. CS-0102795
  • Purity ≥98%
  • MDL No. MFCD01250758
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃
  • Molecular Weight 177.16
  • Synonym(s) (4-Cyanophenoxy)acetic acid
  • SMILES O=C(COC1=CC=C(C=C1)C#N)O

Description

2-(4-Cyanophenoxy)acetic acid features a phenolic ether linkage with a para-cyano group, delivering enhanced electron-withdrawing character and improved metabolic stability. This robust scaffold integrates seamlessly into bioactive molecules, enabling efficient coupling in synthetic pathways.

Application

2-(4-Cyanophenoxy)acetic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its phenolic ether functionality enables reliable coupling reactions, while the nitrile group offers robust compatibility with standard transformations such as hydrolysis to carboxylic acids or reduction to primary amines. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable medicinal chemistry campaigns and API development workflows.

Synthesis

  • Route1
    • Ethyl 2-(4-cyanophenoxy)acetate|CS-0151568
      30041-95-3
    • ~78%
    • In-stock
      2-(4-Cyanophenoxy)acetic acid|CS-0102795
      1878-82-6

    References

    • Chai, Yun; Paul, Ananya; Rettig, Michael; Wilson, W. David; Boykin, David W. Journal of Organic Chemistry, 2014 , vol. 79, # 3 p. 852 - 866
  • Route2
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~%
    • In-stock
      2-(4-Cyanophenoxy)acetic acid|CS-0102795
      1878-82-6

    References

    • Journal of Medicinal Chemistry, , vol. 40, # 18 p. 2843 - 2857
  • Route3
    • Tert-butyl 2-(4-cyanophenoxy)acetate|CS-0242907
      147840-05-9
    • ~%
    • In-stock
      2-(4-Cyanophenoxy)acetic acid|CS-0102795
      1878-82-6

    References

    • Journal of Medicinal Chemistry, , vol. 40, # 18 p. 2843 - 2857

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   70.32
  • LogP   1.02168
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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