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

  • CAS No. 37102-48-0

  • Cat. No. CS-0038738
  • Purity≥96%
  • MDL No.None

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

2-Methyl-1H-pyrrole-3-carboxylic acid|CS-0038738

Structure of 37102-48-0

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General Information

  • CAS No. 37102-48-0
  • Cat. No. CS-0038738
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NO₂
  • Molecular Weight 125.13
  • Synonym(s) 2-Methylpyrrole-3-carboxylic acid
  • SMILES CC1=C(C=CN1)C(=O)O

Description

2-Methyl-1H-pyrrole-3-carboxylic acid features a sterically hindered pyrrole core with a carboxylic acid group at the 3-position, enabling direct incorporation into peptide and heterocyclic scaffolds. The methyl substitution enhances electronic delocalization and improves solubility in polar organic solvents. This derivative serves as a key building block for bioactive molecule synthesis, particularly in medicinal chemistry and materials science applications.

Application

2-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, while the methyl group enhances metabolic stability. The molecule exhibits bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis campaigns and API intermediate development.

Synthesis

  • Route1

    References

    • Benary Chemische Berichte, 1911 , vol. 44, p. 490 Chemische Berichte, 1918 , vol. 51, p. 569

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

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