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CS-W001157 4
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5-Formyl-2,4-dimethylpyrrole-3-carboxylic acid

  • CAS No. 253870-02-9

  • Cat. No. CS-W003265
  • Purity≥98%
  • MDL No.MFCD06202342

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

5-Formyl-2,4-dimethylpyrrole-3-carboxylic acid|CS-W003265

Structure of 253870-02-9

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General Information

  • CAS No. 253870-02-9
  • Cat. No. CS-W003265
  • Purity ≥98%
  • MDL No. MFCD06202342
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₃
  • Molecular Weight 167.16
  • Synonym(s) 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic Acid
  • SMILES O=Cc1[nH]c(c(c1C)C(=O)O)C

Description

This pyrrole derivative features a formyl group at the 5-position and methyl substituents at C-2 and C-4, enabling facile functionalization. The carboxylic acid moiety provides polarity and reactivity for conjugation or derivatization under standard conditions.

Application

5-Formyl-2,4-dimethylpyrrole-3-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its dual functionality—aldehyde and carboxylic acid—enables sequential derivatization via reductive amination, amidation, or condensation reactions. The molecule exhibits good bench stability and facilitates efficient purification, making it well-suited for modular synthesis of complex pyrrole-based scaffolds and functionalized APIs.

Synthesis

  • Route1

    References

    • Lv, Kai; Wang, Li-Li; Liu, Ming-Liang; Zhou, Xin-Bo; Fan, Shi-Yong; Liu, Hong-Ying; Zheng, Zhi-Bing; Li, Song Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 10 p. 3062 - 3065
  • Route2
    • null|null
      37059-18-0
    • ~94%
    • In-stock
      5-Formyl-2,4-dimethylpyrrole-3-carboxylic acid|CS-W003265
      253870-02-9

    References

    • Rastogi, Soumya; Marchal, Estelle; Uddin, Imam; Groves, Brandon; Colpitts, Julie; McFarland, Sherri A.; Davis, Jeffery T.; Thompson, Alison Organic and Biomolecular Chemistry, 2013 , vol. 11, # 23 p. 3834 - 3845
  • Route3
    • 2-(tert-Butyl) 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate|CS-0100009
      86770-31-2
    • ~%
    • In-stock
      5-Formyl-2,4-dimethylpyrrole-3-carboxylic acid|CS-W003265
      253870-02-9

    References

    • Journal of Medicinal Chemistry, , vol. 46, # 7 p. 1116 - 1119

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   70.16
  • LogP   1.14224
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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