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CS-W001157 4
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4,6-Dimethylnicotinic acid

  • CAS No. 22047-86-5

  • Cat. No. CS-0153148
  • Molecule weight151.16
  • Purity≥98%
  • MDL No.MFCD00234424

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

4,6-Dimethylnicotinic acid|CS-0153148

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General Information

  • CAS No. 22047-86-5
  • Cat. No. CS-0153148
  • Purity ≥98%
  • MDL No. MFCD00234424
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₂
  • Molecular Weight 151.16
  • Synonym(s) IFLAB-BB F1371-0186
  • SMILES CC1=CC(=NC=C1C(=O)O)C

Description

4,6-Dimethylnicotinic acid is a sterically hindered, bench-stable pyridine carboxylic acid featuring two methyl groups at the 4- and 6-positions. This substitution pattern enhances metabolic stability and modulates electronic properties, making it valuable for medicinal chemistry applications. The molecule integrates readily into bioactive scaffolds and serves as a key building block in the synthesis of pharmaceutical intermediates and functionalized heterocycles.

Application

4,6-Dimethylnicotinic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling the construction of substituted pyridine scaffolds through standard functional group transformations. Its ortho-methyl groups enhance metabolic stability and influence electronic properties, while the carboxylic acid functionality facilitates direct derivatization or coupling reactions. The compound exhibits good bench stability and is amenable to purification via recrystallization, supporting its use in scalable synthetic workflows.

Synthesis

  • Route1

    References

    • Journal of the Chemical Society, , p. 3161,3162

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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