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CS-W001157 4
Total: USD 88.00

6-Bromo-1H-indole-4-carboxylic acid

  • CAS No. 898746-91-3

  • Cat. No. CS-W008655
  • Purity≥98%
  • MDL No.MFCD08458974

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

6-Bromo-1H-indole-4-carboxylic acid|CS-W008655

Structure of 898746-91-3

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General Information

  • CAS No. 898746-91-3
  • Cat. No. CS-W008655
  • Purity ≥98%
  • MDL No. MFCD08458974
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrNO₂
  • Molecular Weight 240.05
  • Synonym(s) 6-Bromo-4-Indole Carboxylic acid
  • SMILES O=C(C1=CC(Br)=CC2=C1C=CN2)O

Description

6-Bromo-1H-indole-4-carboxylic acid features a bromine substituent at the 6-position and a carboxylic acid group at the 4-position of the indole core. This configuration enables direct incorporation into bioactive molecule scaffolds, particularly in medicinal chemistry and pharmaceutical development. The electron-deficient nature of the indole ring enhances reactivity in cross-coupling processes, while the carboxylic acid facilitates derivatization via amide or ester formation.

Application

6-Bromo-1H-indole-4-carboxylic acid serves as a versatile building block for the synthesis of indole-based pharmaceuticals and functional materials. The bromo group enables palladium-catalyzed cross-coupling reactions, while the carboxylic acid facilitates amide formation, esterification, or direct derivatization. Its stability under standard reaction conditions and compatibility with common protecting groups make it well-suited for multi-step synthetic sequences in medicinal chemistry and process 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-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   53.09
  • LogP   2.6286
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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