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CS-W001157 4
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6-Bromoisoquinoline-1-carboxylic acid

  • CAS No. 1256806-36-6

  • Cat. No. CS-0041430
  • Purity≥98%
  • MDL No.MFCD18257155

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

6-Bromoisoquinoline-1-carboxylic acid|CS-0041430

Structure of 1256806-36-6

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General Information

  • CAS No. 1256806-36-6
  • Cat. No. CS-0041430
  • Purity ≥98%
  • MDL No. MFCD18257155
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆BrNO₂
  • Molecular Weight 252.06
  • Synonym(s) None
  • SMILES O=C(C1=NC=CC2=C1C=CC(Br)=C2)O

Description

6-Bromoisoquinoline-1-carboxylic acid features a brominated isoquinoline core with a carboxylic acid group at the 1-position, enabling direct coupling in cross-coupling and amide formation reactions. This electron-deficient scaffold integrates readily into bioactive molecule architectures, offering enhanced stability and predictable reactivity under standard conditions.

Application

6-Bromoisoquinoline-1-carboxylic acid serves as a versatile building block for the synthesis of isoquinoline-based pharmaceuticals and functional materials. Its bromine substituent enables palladium-catalyzed cross-coupling reactions, while the carboxylic acid group facilitates derivatization via amide formation or esterification. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthetic workflows in medicinal chemistry and process 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   50.19
  • LogP   2.6955
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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