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CS-W001157 4
Total: USD 88.00

2-(3-Cyanophenyl)acetic acid

  • CAS No. 1878-71-3

  • Cat. No. CS-W005265
  • Purity≥95%
  • MDL No.MFCD06411079

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

2-(3-Cyanophenyl)acetic acid|CS-W005265

Structure of 1878-71-3

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General Information

  • CAS No. 1878-71-3
  • Cat. No. CS-W005265
  • Purity ≥95%
  • MDL No. MFCD06411079
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) 3-Cyanophenylacetic acid
  • SMILES OC(=O)CC1=CC(=CC=C1)C#N

Description

This 2-(3-cyanophenyl)acetic acid features a conjugated aryl-acid motif with a para-oriented nitrile group, enabling robust integration into bioconjugation and medicinal chemistry scaffolds. The electron-withdrawing cyano moiety enhances acidity and facilitates nucleophilic functionalization. Bench-stable and moisture-tolerant, it streamlines synthesis under standard conditions.

Application

2-(3-Cyanophenyl)acetic acid serves as a versatile building block for pharmaceutical intermediates and functionalized heterocycles. Its ortho-cyano aryl group enables direct incorporation into pyridine, quinoline, and indole scaffolds via cyclization or coupling reactions. The carboxylic acid functionality facilitates esterification, amidation, and metal complexation, while the benzylic position supports selective functionalization. Bench-stable and readily purified by recrystallization, it functions effectively in standard synthetic workflows requiring moderate polarity and predictable reactivity.

Synthesis

  • Route1
    • null|null
      52797-99-6
    • ~%
    • In-stock
      2-(3-Cyanophenyl)acetic acid|CS-W005265
      1878-71-3

    References

    • US2010/197703 A1, ; Page/Page column 79-80; sheet 4 ;
  • Route2
    • null|null
      124-38-9
    • null|null
      1253037-56-7
    • ~%
    • In-stock
      2-(3-Cyanophenyl)acetic acid|CS-W005265
      1878-71-3

    References

    • Tetrahedron, , vol. 66, # 39 p. 7732 - 7737
  • Route3
    • In-stock
      3-Aminophenylacetic acid|CS-W008015
      14338-36-4
    • null|null
      151-50-8
    • ~%
    • In-stock
      2-(3-Cyanophenyl)acetic acid|CS-W005265
      1878-71-3

    References

    • Helvetica Chimica Acta, , vol. 29, p. 449,459

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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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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