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5-Bromo-3-methyl-1H-indole-2-carboxylic acid

  • CAS No. 70070-32-5

  • Cat. No. CS-0113080
  • Purity≥98%
  • MDL No.MFCD01366202

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

5-Bromo-3-methyl-1H-indole-2-carboxylic acid|CS-0113080

Structure of 70070-32-5

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General Information

  • CAS No. 70070-32-5
  • Cat. No. CS-0113080
  • Purity ≥98%
  • MDL No. MFCD01366202
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈BrNO₂
  • Molecular Weight 254.08
  • Synonym(s) 5-BROMO-3-METHYL-1H-INDOLE-2-CARBOXYLIC
  • SMILES O=C(C(N1)=C(C)C2=C1C=CC(Br)=C2)O

Description

5-Bromo-3-methyl-1H-indole-2-carboxylic acid features a brominated indole core with a methyl group at the 3-position and a carboxylic acid at C2, delivering enhanced electron-withdrawing character and improved solubility in polar organic solvents. This scaffold enables direct coupling in Suzuki-Miyaura and Ullmann reactions, facilitating rapid access to bioactive heterocycles under mild conditions.

Application

5-Bromo-3-methyl-1H-indole-2-carboxylic acid serves as a versatile building block in heterocyclic synthesis, enabling direct coupling reactions via its carboxylic acid functionality. The bromo and methyl groups provide orthogonal handles for late-stage functionalization, including Pd-catalyzed cross-couplings and electrophilic substitutions. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for medicinal chemistry campaigns and API intermediate development.

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   53.09
  • LogP   2.93702
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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