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CS-W001157 4
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5-Formyl-1H-pyrrole-2-carboxylic acid methyl ester

  • CAS No. 1197-13-3

  • Cat. No. CS-0040617
  • Molecule weight153.14
  • Purity≥98%
  • MDL No.MFCD09878545

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

5-Formyl-1H-pyrrole-2-carboxylic acid methyl ester|CS-0040617

Structure of 1197-13-3

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General Information

  • CAS No. 1197-13-3
  • Cat. No. CS-0040617
  • Purity ≥98%
  • MDL No. MFCD09878545
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₃
  • Molecular Weight 153.14
  • Synonym(s) Methyl 5-formylpyrrole-2-carboxylate
  • SMILES O=C(C1=CC=C(C=O)N1)OC

Description

5-Formyl-1H-pyrrole-2-carboxylic acid methyl ester features a reactive aldehyde group flanked by a pyrrole ring and an ester moiety, enabling direct conjugation in synthetic transformations. This bench-stable derivative integrates readily into bioconjugation workflows and serves as a key intermediate for functionalized heterocycles.

Application

5-Formyl-1H-pyrrole-2-carboxylic acid methyl ester serves as a versatile heterocyclic building block for the synthesis of biologically relevant scaffolds. The molecule combines an electrophilic formyl group with a carboxylic acid ester, enabling sequential functionalization via nucleophilic addition, condensation, and coupling reactions. Its bench-stable nature and compatibility with standard purification methods make it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • In-stock
      Methyl 1H-pyrrole-2-carboxylate|CS-W013518
      1193-62-0
    • null|null
      68-12-2
    • ~82%
    • In-stock
      5-Formyl-1H-pyrrole-2-carboxylic acid methyl ester|CS-0040617
      1197-13-3

    References

    • Hong, Feng; Zaidi, Javid; Pang, Yuan-Ping; Cusack, Bernadette; Richelson, Elliott Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 20 p. 2997 - 3003
  • Route2

    References

    • Tetrahedron, , vol. 48, # 8 p. 1457 - 1464
  • Route3

    References

    • EP1568698 A1, ; Page/Page column 45-46 ;

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   59.16
  • LogP   0.6138
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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