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CS-W001157 4
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1-(Methylsulfonyl)-1H-pyrrole-3-carboxylic acid

  • CAS No. 1521806-48-3

  • Cat. No. CS-0436349
  • Purity≥97%
  • MDL No.None

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

1-(Methylsulfonyl)-1H-pyrrole-3-carboxylic acid|CS-0436349

Structure of 1521806-48-3

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General Information

  • CAS No. 1521806-48-3
  • Cat. No. CS-0436349
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NO₄S
  • Molecular Weight 189.19
  • Synonym(s) 1-(Methylsulfonyl)pyrrole-3-carboxylic Acid
  • SMILES O=C(C1=CN(S(=O)(C)=O)C=C1)O

Description

This pyrrole-based carboxylic acid features a methylsulfonyl group at the 1-position, enhancing solubility and metabolic stability. The electron-withdrawing sulfonyl moiety modulates acidity and reactivity, enabling integration into bioactive scaffolds. Ideal for medicinal chemistry campaigns requiring polar, bench-stable heterocyclic building blocks.

Application

1-(Methylsulfonyl)-1H-pyrrole-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling efficient incorporation of a polar, metabolically stable sulfone group adjacent to a pyrrole core. Its carboxylic acid functionality facilitates direct amidation, esterification, or coupling reactions, while the methylsulfonyl group enhances solubility and modulates electronic properties. The compound exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for iterative synthesis of bioactive heterocycles and API intermediates.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   76.37
  • LogP   -0.006
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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