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CS-W001157 4
Total: USD 88.00

2-(Pyridin-3-yl)benzoic acid

  • CAS No. 134363-45-4

  • Cat. No. CS-W021456
  • Purity≥97%
  • MDL No.MFCD03426511

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

2-(Pyridin-3-yl)benzoic acid|CS-W021456

Structure of 134363-45-4

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General Information

  • CAS No. 134363-45-4
  • Cat. No. CS-W021456
  • Purity ≥97%
  • MDL No. MFCD03426511
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉NO₂
  • Molecular Weight 199.21
  • Synonym(s) 3-(2-Carboxyphenyl)pyridine
  • SMILES OC(=O)C1=C(C=CC=C1)C1=CC=CN=C1

Description

This pyridine-fused benzoic acid integrates a heteroaromatic pyridin-3-yl group with a carboxylic acid functionality, enabling versatile conjugation in medicinal chemistry and materials science. The orthogonal electronic profile enhances solubility and facilitates metal coordination, while the rigid fused architecture supports precise molecular orientation in supramolecular systems and catalyst design under standard conditions.

Application

2-(Pyridin-3-yl)benzoic acid serves as a versatile building block for bioactive heterocycles, enabling efficient construction of fused polycyclic scaffolds via standard coupling and cyclization protocols. Its ortho-linked pyridine and carboxylic acid functionalities offer enhanced solubility and functional group tolerance, facilitating downstream derivatization in medicinal chemistry campaigns. The compound exhibits excellent bench stability and is readily purified by recrystallization or chromatography.

Synthesis

  • Route1
    • 2-Pyridin-3-Yl-benzoic acid ethyl ester|CS-0744461
      225797-25-1
    • ~49%
    • In-stock
      2-(Pyridin-3-yl)benzoic acid|CS-W021456
      134363-45-4

    References

    • Rebstock, Anne-Sophie; Mongin, Florence; Trecourt, Francois; Queguiner, Guy Tetrahedron, 2003 , vol. 59, # 27 p. 4973 - 4977
  • Route2

    References

    • Gong, Yong; Pauls, Henry W. Synlett, 2000 , # 6 p. 829 - 831
  • Route3

    References

    • Tetrahedron, , vol. 59, # 27 p. 4973 - 4977

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   50.19
  • LogP   2.4468
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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