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CS-W001157 4
Total: USD 88.00

2-Quinolinepropanoic acid

  • CAS No. 39111-94-9

  • Cat. No. CS-0006585
  • Purity≥97%
  • MDL No.None

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

2-Quinolinepropanoic acid|CS-0006585

Structure of 39111-94-9

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General Information

  • CAS No. 39111-94-9
  • Cat. No. CS-0006585
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₂
  • Molecular Weight 201.22
  • Synonym(s) 3-QUINOLIN-2-YLPROPANOIC ACID
  • SMILES OC(CCC1=NC2=CC=CC=C2C=C1)=O

Description

2-Quinolinepropanoic acid features a quinoline core conjugated to a propanoic acid side chain, enabling direct integration into bioactive molecule scaffolds. The electron-deficient heterocycle enhances binding affinity in kinase inhibitors and other pharmaceutical targets. This bench-stable compound serves as a key building block for ligand development in medicinal chemistry.

Application

2-Quinolinepropanoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical scaffolds. Its rigid quinoline core provides enhanced metabolic stability and favorable binding interactions, while the pendant propanoic acid group facilitates derivatization via esterification, amidation, or coupling reactions. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for high-throughput synthesis and process development workflows.

Synthesis

  • Route1

    References

    • Einhorn; Sherman Justus Liebigs Annalen der Chemie, 1895 , vol. 287, p. 44
  • Route2
    • null|null
      613-53-6
    • ~%
    • In-stock
      2-Quinolinepropanoic acid|CS-0006585
      39111-94-9

    References

    • Brown et al. Journal of the Chemical Society, 1951 , p. 1145,1147
  • Route3
    • 1-Benzoyl-1,2-dihydroquinoline-2-carbonitrile|CS-0358090
      13721-17-0
    • null|null
      107-13-1
    • ~%
    • In-stock
      2-Quinolinepropanoic acid|CS-0006585
      39111-94-9

    References

    • Boekelheide; Godfrey Journal of the American Chemical Society, 1953 , vol. 75, p. 3679,3682

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   2.252
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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