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ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate

  • CAS No. 120732-04-9

  • Cat. No. CS-0035917
  • Molecule weight207.15
  • Purity≥97%
  • MDL No.None

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

ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate|CS-0035917

Structure of 120732-04-9

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General Information

  • CAS No. 120732-04-9
  • Cat. No. CS-0035917
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈F₃NO₂
  • Molecular Weight 207.15
  • Synonym(s) ethyl 3-trifluoromethyl-1H-pyrrol-4-carboxylate
  • SMILES CCOC(=O)C1=CNC=C1C(F)(F)F

Description

Ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate features a trifluoromethyl group that imparts enhanced electron-withdrawing character and metabolic stability. This bench-stable, moisture-tolerant reagent integrates readily into heterocyclic synthesis, serving as a key building block for pharmaceutical intermediates and functional materials.

Application

Ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated heterocyclic scaffolds. Its trifluoromethyl group enhances metabolic stability and modulates lipophilicity, while the ester functionality facilitates further derivatization via hydrolysis or coupling reactions. The molecule exhibits good bench stability and compatibility with standard synthetic protocols, making it suitable for use in multi-step syntheses of bioactive compounds and API intermediates.

Synthesis

  • Route1
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      25597-16-4
    • null|null
      38622-91-2
    • ~%
    • In-stock
      ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate|CS-0035917
      120732-04-9

    References

    • US5204332 A1, ;
  • Route2
    • null|null
      25597-16-4
    • null|null
      36635-62-8
    • ~%
    • In-stock
      ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate|CS-0035917
      120732-04-9

    References

    • US6365620 B2, ; Example P 1 ;

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-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   2.2102
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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