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1,2-Dimethyl-1H-pyrrole-3-carboxylic acid

  • CAS No. 89776-57-8

  • Cat. No. CS-0153500
  • Purity≥98%
  • MDL No.MFCD19230065

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

1,2-Dimethyl-1H-pyrrole-3-carboxylic acid|CS-0153500

Structure of 89776-57-8

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General Information

  • CAS No. 89776-57-8
  • Cat. No. CS-0153500
  • Purity ≥98%
  • MDL No. MFCD19230065
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO₂
  • Molecular Weight 139.15
  • Synonym(s) Acide 1,2-diméthyl-1H-pyrrole-3-carboxylique
  • SMILES CC1=C(C=CN1C)C(=O)O

Description

1,2-Dimethyl-1H-pyrrole-3-carboxylic acid features a sterically hindered pyrrole core with dual methyl substitutions enhancing electronic density at the C2 position. The carboxylic acid group enables direct coupling in peptide synthesis and serves as a handle for derivatization. This bench-stable, moisture-tolerant reagent integrates readily into bioactive molecule scaffolds.

Application

1,2-Dimethyl-1H-pyrrole-3-carboxylic acid serves as a versatile building block in heterocyclic synthesis, offering a readily functionalizable pyrrole core with orthogonal reactivity. The carboxylic acid group enables direct derivatization via amide coupling or esterification, while the methyl substituents enhance stability and influence regioselectivity in electrophilic substitution. Its bench-stable nature and compatibility with standard purification methods make it suitable for use in medicinal chemistry campaigns and API intermediate development.

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   42.23
  • LogP   1.03172
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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