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

  • CAS No. 1179362-83-4

  • Cat. No. CS-0531967
  • Molecule weight183.16
  • Purity≥98%
  • MDL No.MFCD12547494

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

5-(Ethoxycarbonyl)-1H-pyrrole-3-carboxylic acid|CS-0531967

Structure of 1179362-83-4

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General Information

  • CAS No. 1179362-83-4
  • Cat. No. CS-0531967
  • Purity ≥98%
  • MDL No. MFCD12547494
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₄
  • Molecular Weight 183.16
  • Synonym(s) 1H-Pyrrole-2,4-dicarboxylic acid 2-ethyl ester
  • SMILES O=C(C1=CNC(C(OCC)=O)=C1)O

Description

5-(Ethoxycarbonyl)-1H-pyrrole-3-carboxylic acid features a pyrrole core with strategically positioned electron-withdrawing ester and carboxylic acid groups, enabling direct conjugation in heterocyclic synthesis. This bench-stable derivative facilitates efficient access to functionalized pyrroles under standard conditions.

Application

5-(Ethoxycarbonyl)-1H-pyrrole-3-carboxylic acid serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrroles via standard decarboxylation, amidation, and coupling protocols. The ethoxycarbonyl and carboxylic acid groups provide orthogonal reactivity for sequential functionalization, while the molecule exhibits excellent bench stability and ease of purification—ideal for 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   79.39
  • LogP   0.8896
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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