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CS-W001157 4
Total: USD 88.00

3-(4-Cyanophenyl)propanoic acid

  • CAS No. 42287-94-5

  • Cat. No. CS-W008014
  • Purity≥98%
  • MDL No.MFCD08234823

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

3-(4-Cyanophenyl)propanoic acid|CS-W008014

Structure of 42287-94-5

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General Information

  • CAS No. 42287-94-5
  • Cat. No. CS-W008014
  • Purity ≥98%
  • MDL No. MFCD08234823
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.19
  • Synonym(s) None
  • SMILES N#CC1=CC=C(C=C1)CCC(=O)O

Description

3-(4-Cyanophenyl)propanoic acid features a conjugated aryl-cyano moiety linked to a propionic acid side chain, enabling integration into bioactive scaffolds. This electron-deficient aromatic system enhances reactivity in coupling processes and supports hydrogen bonding in supramolecular assemblies. The carboxylic acid group facilitates derivatization under standard conditions.

Application

3-(4-Cyanophenyl)propanoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient access to biaryl-containing scaffolds. Its conjugated aryl-cyano-carboxylic acid motif facilitates direct functionalization, coupling reactions, and incorporation into heterocyclic frameworks. The compound exhibits good bench stability, moderate solubility in common organic solvents, and compatibility with standard purification methods, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

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

Quality Control

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   1.57548
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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