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2,4-Dimethylpyridine-3-carboxylic acid

  • CAS No. 55314-30-2

  • Cat. No. CS-0052147
  • Molecule weight151.16
  • Purity≥96%
  • MDL No.MFCD03265250

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

2,4-Dimethylpyridine-3-carboxylic acid|CS-0052147

Structure of 55314-30-2

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General Information

  • CAS No. 55314-30-2
  • Cat. No. CS-0052147
  • Purity ≥96%
  • MDL No. MFCD03265250
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₂
  • Molecular Weight 151.16
  • Synonym(s) 2,4-Dimethylnicotinic acid
  • SMILES CC1=C(C(O)=O)C(C)=NC=C1

Description

2,4-Dimethylpyridine-3-carboxylic acid features a pyridine core functionalized with methyl groups at the 2- and 4-positions and a carboxylic acid at the 3-position, delivering enhanced solubility and stability. The electron-deficient ring facilitates coupling reactions, while the para-methyl group provides steric shielding. This compound serves as a valuable scaffold in medicinal chemistry and materials synthesis.

Application

2,4-Dimethylpyridine-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard coupling and functionalization reactions. Its pyridine core offers enhanced solubility and metabolic stability, while the carboxylic acid group facilitates direct amidation, esterification, and derivatization under mild conditions. The methyl substituents provide steric and electronic modulation, improving reactivity in cross-coupling processes and enhancing crystallinity for purification. This compound functions reliably in both small-molecule discovery and process-scale applications.

Synthesis

  • Route1

    References

    • VALEANT PHARMACEUTICALS INTERNATIONAL Patent: US2008/318979 A1, 2008 ; Location in patent: Page/Page column 19-20 ; US 20080318979 A1
  • Route2
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      52199-37-8
    • ~%
    • In-stock
      2,4-Dimethylpyridine-3-carboxylic acid|CS-0052147
      55314-30-2

    References

    • Recueil: Journal of the Royal Netherlands Chemical Society, , vol. 101, # 5 p. 191 - 192

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   50.19
  • LogP   1.39664
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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