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CS-W001157 4
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Methyl 3-bromo-1H-pyrrole-2-carboxylate

  • CAS No. 941714-57-4

  • Cat. No. CS-0036886
  • Molecule weight204.02
  • Purity≥97%
  • MDL No.None

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

Methyl 3-bromo-1H-pyrrole-2-carboxylate|CS-0036886

Structure of 941714-57-4

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General Information

  • CAS No. 941714-57-4
  • Cat. No. CS-0036886
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆BrNO₂
  • Molecular Weight 204.02
  • Synonym(s) 3-BROMO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER
  • SMILES COC(=O)C1=C(C=CN1)Br

Description

Methyl 3-bromo-1H-pyrrole-2-carboxylate features a brominated pyrrole core with a methyl ester at the C2 position, enabling direct functionalization in cross-coupling and heterocyclic synthesis. The electron-deficient pyrrole ring facilitates regioselective reactions, while the ester group provides a handle for further derivatization. This bench-stable reagent integrates efficiently into complex molecule assembly workflows.

Application

Methyl 3-bromo-1H-pyrrole-2-carboxylate serves as a versatile building block for the synthesis of substituted pyrroles and heterocyclic scaffolds. The bromo group enables palladium-catalyzed cross-coupling reactions, while the ester functionality supports further transformations such as hydrolysis or reduction. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for medicinal chemistry and process development workflows.

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   1.5638
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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