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CS-W001157 4
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Ethyl 3-fluoro-1H-pyrrole-2-carboxylate

  • CAS No. 168102-05-4

  • Cat. No. CS-W004237
  • Purity≥97%
  • MDL No.MFCD11042605

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

Ethyl 3-fluoro-1H-pyrrole-2-carboxylate|CS-W004237

Structure of 168102-05-4

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General Information

  • CAS No. 168102-05-4
  • Cat. No. CS-W004237
  • Purity ≥97%
  • MDL No. MFCD11042605
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈FNO₂
  • Molecular Weight 157.14
  • Synonym(s) 1H-Pyrrole-2-carboxylicacid,3-fluoro-,ethylester(9CI)
  • SMILES O=C(C1=C(F)C=CN1)OCC

Description

Ethyl 3-fluoro-1H-pyrrole-2-carboxylate features a fluorinated pyrrole core with enhanced electron deficiency, enabling selective coupling in cross-coupling reactions. The ester group provides solubility and handles cleanly under standard conditions, while the ortho-fluorine facilitates directed functionalization. This bench-stable reagent integrates efficiently into synthetic sequences requiring heterocyclic building blocks with tailored electronic properties.

Application

Ethyl 3-fluoro-1H-pyrrole-2-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to fluorinated pyrrole scaffolds prevalent in medicinal chemistry. The electrophilic fluorine at the C3 position enhances reactivity in palladium-catalyzed cross-coupling reactions and facilitates site-specific derivatization. Its bench-stable nature, combined with excellent functional group tolerance and straightforward purification, makes it ideal for iterative synthesis campaigns targeting bioactive molecules and API intermediates.

Safety Information

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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   42.09
  • LogP   1.3305
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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