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Methyl 5-bromo-6-methyl-1H-indole-3-carboxylate

  • CAS No. 1360957-60-3

  • Cat. No. CS-0048992
  • Purity≥97%
  • MDL No.None

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

Methyl 5-bromo-6-methyl-1H-indole-3-carboxylate|CS-0048992

Structure of 1360957-60-3

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General Information

  • CAS No. 1360957-60-3
  • Cat. No. CS-0048992
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀BrNO₂
  • Molecular Weight 268.11
  • Synonym(s) Methyl 5-Bromo-6-methylindole-3-carboxylate
  • SMILES COC(=O)C1=CNC2=C1C=C(Br)C(C)=C2

Description

Methyl 5-bromo-6-methyl-1H-indole-3-carboxylate is a bench-stable, moisture-tolerant indole derivative featuring a bromine atom at the 5-position and a methyl group at the 6-position. This electron-deficient scaffold integrates readily into cross-coupling reactions, enabling efficient access to functionalized indole architectures in medicinal chemistry and materials science applications.

Application

Methyl 5-bromo-6-methyl-1H-indole-3-carboxylate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling direct functionalization at the C5 position via palladium-catalyzed cross-coupling. The methyl ester group facilitates further derivatization, while the bromo and methyl substituents provide orthogonal handles for sequential transformations. Its bench-stable nature and compatibility with standard coupling protocols make it ideal for constructing complex heterocyclic scaffolds relevant to API development.

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   3.02542
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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