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CS-W001157 4
Total: USD 88.00

2-(2-Cyanophenyl)acetic acid

  • CAS No. 18698-99-2

  • Cat. No. CS-W005104
  • Purity≥97%
  • MDL No.MFCD01646238

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

2-(2-Cyanophenyl)acetic acid|CS-W005104

Structure of 18698-99-2

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General Information

  • CAS No. 18698-99-2
  • Cat. No. CS-W005104
  • Purity ≥97%
  • MDL No. MFCD01646238
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) Benzeneacetic acid, 2-cyano-
  • SMILES O=C(O)CC1=CC=CC=C1C#N

Description

2-(2-Cyanophenyl)acetic acid features a strategically positioned nitrile group adjacent to a phenyl ring, enhancing electronic withdrawal and enabling precise functionalization in synthetic pathways. This bench-stable carboxylic acid integrates readily into pharmaceutical intermediates and ligand architectures, offering predictable reactivity under standard conditions.

Application

2-(2-Cyanophenyl)acetic acid serves as a versatile building block for the synthesis of heterocyclic scaffolds and bioactive molecules. Its dual functionality—aryl nitrile and carboxylic acid—enables straightforward derivatization via amidation, esterification, or cyclization reactions. The molecule exhibits good bench stability and facilitates efficient purification, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • Meth-Cohn, Otto; Wang, Mei-Xiang Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 21 p. 3197 - 3204
  • Route2
    • In-stock
      2-(2-Aminophenyl)acetic acid|CS-0499254
      3342-78-7
    • null|null
      151-50-8
    • ~%
    • In-stock
      2-(2-Cyanophenyl)acetic acid|CS-W005104
      18698-99-2

    References

    • Archiv der Pharmazie, , vol. 321, # 5 p. 265 - 272
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 18, p. 30,33

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   1.18538
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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