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CS-W001157 4
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Methyl 5-bromo-1H-indole-3-carboxylate

  • CAS No. 773873-77-1

  • Cat. No. CS-W006169
  • Purity≥98%
  • MDL No.MFCD06203728

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

Methyl 5-bromo-1H-indole-3-carboxylate|CS-W006169

Structure of 773873-77-1

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General Information

  • CAS No. 773873-77-1
  • Cat. No. CS-W006169
  • Purity ≥98%
  • MDL No. MFCD06203728
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈BrNO₂
  • Molecular Weight 254.08
  • Synonym(s) None
  • SMILES COC(C1=CNC2=C1C=C(Br)C=C2)=O

Description

Methyl 5-bromo-1H-indole-3-carboxylate features a brominated indole core with a methyl ester group at the 3-position, enabling direct functionalization in cross-coupling and derivatization workflows. This bench-stable compound serves as a key building block for bioactive heterocycles and pharmaceutical intermediates.

Application

Methyl 5-bromo-1H-indole-3-carboxylate serves as a versatile building block for the synthesis of substituted indoles and heterocyclic scaffolds. The bromo group at the 5-position enables palladium-catalyzed cross-coupling reactions, while the ester functionality supports hydrolysis and derivatization. This compound exhibits good bench stability and facilitates efficient purification, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

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

Quality Control

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   2.717
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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