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CS-W001157 4
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5-Methyl-1H-pyrrole-3-carboxylic acid

  • CAS No. 100047-52-7

  • Cat. No. CS-0018766
  • Purity≥98%
  • MDL No.MFCD09991919

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

5-Methyl-1H-pyrrole-3-carboxylic acid|CS-0018766

Structure of 100047-52-7

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General Information

  • CAS No. 100047-52-7
  • Cat. No. CS-0018766
  • Purity ≥98%
  • MDL No. MFCD09991919
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NO₂
  • Molecular Weight 125.13
  • Synonym(s) 5-Methyl-1H-pyrrole-3-carboxylic acid; 2-Methyl-4-pyrrolecarboxylic acid; 5-Methyl-3-pyrrolecarboxylic acid
  • SMILES O=C(C1=CNC(C)=C1)O

Description

5-Methyl-1H-pyrrole-3-carboxylic acid features a methyl-substituted pyrrole core with a carboxylic acid group at the 3-position, delivering enhanced solubility and stability under standard conditions. This electron-rich scaffold integrates readily into bioactive molecule design, particularly in medicinal chemistry scaffolds requiring heteroaromatic linkage. The para-methyl substitution modulates reactivity and metabolic resistance, enabling efficient coupling reactions in peptide and macrocycle synthesis.

Application

5-Methyl-1H-pyrrole-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrrole-based heterocycles. Its carboxylic acid functionality facilitates direct amidation, esterification, and coupling reactions under standard conditions. The methyl group enhances metabolic stability and provides a handle for further functionalization. Bench-stable and readily purified by recrystallization, it functions reliably in peptide mimetics, kinase inhibitors, and other API scaffolds requiring substituted pyrroles.

Safety Information

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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   53.09
  • LogP   1.02132
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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