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CS-W001157 4
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Methyl 3-bromo-1-methyl-1H-indole-6-carboxylate

  • CAS No. 1186663-45-5

  • Cat. No. CS-0069076
  • Purity≥98%
  • MDL No.MFCD12828701

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

Methyl 3-bromo-1-methyl-1H-indole-6-carboxylate|CS-0069076

Structure of 1186663-45-5

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General Information

  • CAS No. 1186663-45-5
  • Cat. No. CS-0069076
  • Purity ≥98%
  • MDL No. MFCD12828701
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀BrNO₂
  • Molecular Weight 268.11
  • Synonym(s) Methyl 3-bromo-1-methylindole-6-carboxylate
  • SMILES O=C(C1=CC2=C(C=C1)C(Br)=CN2C)OC

Description

Methyl 3-bromo-1-methyl-1H-indole-6-carboxylate is a bench-stable, moisture-tolerant heterocyclic building block featuring a brominated indole core with a methyl ester at the C6 position. This compound integrates readily into cross-coupling reactions and serves as a key intermediate for synthesizing bioactive indole derivatives in medicinal chemistry and materials science.

Application

Methyl 3-bromo-1-methyl-1H-indole-6-carboxylate serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its brominated indole core. The methyl substitution at the nitrogen and ester functionality provide enhanced stability and compatibility with standard synthetic workflows. Its well-defined reactivity facilitates efficient construction of complex heterocyclic scaffolds, particularly in the development of kinase inhibitors and CNS-targeted compounds.

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   31.23
  • LogP   2.7274
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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