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CS-W001157 4
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Methyl 4-bromo-1H-indole-6-carboxylate

  • CAS No. 882679-96-1

  • Cat. No. CS-W022843
  • Purity≥96%
  • MDL No.MFCD03867040

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

Methyl 4-bromo-1H-indole-6-carboxylate|CS-W022843

Structure of 882679-96-1

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General Information

  • CAS No. 882679-96-1
  • Cat. No. CS-W022843
  • Purity ≥96%
  • MDL No. MFCD03867040
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈BrNO₂
  • Molecular Weight 254.08
  • Synonym(s) Methyl 4-broMoindole-6-carboxylate
  • SMILES O=C(C1=CC2=C(C(Br)=C1)C=CN2)OC

Description

Methyl 4-bromo-1H-indole-6-carboxylate features a brominated indole core with a methyl ester at the C6 position, enabling direct functionalization in cross-coupling and cyclization reactions. This bench-stable derivative integrates readily into synthetic pathways for bioactive heterocycles, offering predictable reactivity and compatibility with palladium-catalyzed transformations under standard conditions.

Application

Methyl 4-bromo-1H-indole-6-carboxylate serves as a versatile building block for the synthesis of substituted indoles and heterocyclic scaffolds. The bromine at the 4-position enables palladium-catalyzed cross-coupling reactions, while the ester group facilitates further functionalization via 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   2.717
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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