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CS-W001157 4
Total: USD 88.00

2-Methyl-1H-imidazole-4-carboxylic acid

  • CAS No. 1457-58-5

  • Cat. No. CS-W023071
  • Purity≥95%
  • MDL No.None

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

2-Methyl-1H-imidazole-4-carboxylic acid|CS-W023071

Structure of 1457-58-5

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General Information

  • CAS No. 1457-58-5
  • Cat. No. CS-W023071
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆N₂O₂
  • Molecular Weight 126.12
  • Synonym(s) 2-MethyliMidazole-4-carboxylic acid
  • SMILES O=C(C1=CNC(C)=N1)O

Description

2-Methyl-1H-imidazole-4-carboxylic acid features a polar, electron-deficient imidazole core paired with a carboxylic acid handle, enabling direct conjugation in peptide and heterocyclic synthesis. This bench-stable derivative integrates readily into bioactive scaffolds under standard coupling conditions.

Application

2-Methyl-1H-imidazole-4-carboxylic acid serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, offering a readily functionalizable imidazole core with orthogonal reactivity. Its carboxylic acid group enables direct amidation, esterification, or coupling reactions under standard conditions, while the methyl substituent enhances metabolic stability and modulates electronic properties. The compound exhibits bench stability, facilitates straightforward purification, and functions effectively in the construction of bioactive scaffolds and API intermediates.

Synthesis

  • Route1
    • 4,5-Dimethylimidazole|CS-0061163
      2302-39-8
    • ~%
    • In-stock
      2-Methyl-1H-imidazole-4-carboxylic acid|CS-W023071
      1457-58-5

    References

    • Journal of the Chemical Society, , vol. 115, p. 250
  • Route2

    References

    • Chemische Berichte, , vol. 45, p. 514 Chem. Zentralbl., , vol. 83, # II p. 300

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   65.98
  • LogP   0.41632
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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