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CS-W001157 4
Total: USD 88.00

4-Bromo-8-nitroisoquinoline

  • CAS No. 677702-62-4

  • Cat. No. CS-0186965
  • Purity≥98%
  • MDL No.None

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

4-Bromo-8-nitroisoquinoline|CS-0186965

Structure of 677702-62-4

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General Information

  • CAS No. 677702-62-4
  • Cat. No. CS-0186965
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅BrN₂O₂
  • Molecular Weight 253.05
  • Synonym(s) 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4H-BENZO[D]IMIDAZOLE
  • SMILES O=[N+](C1=CC=CC2=C1C=NC=C2Br)[O-]

Description

4-Bromo-8-nitroisoquinoline is a functionalized isoquinoline scaffold featuring a bromine atom at the 4-position and a nitro group at the 8-position. This electron-deficient heterocycle serves as a key building block for transition-metal-catalyzed cross-coupling reactions, enabling efficient access to complex molecular architectures in medicinal chemistry and materials science.

Application

4-Bromo-8-nitroisoquinoline serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. The bromine at C4 enables palladium-catalyzed cross-coupling reactions, while the nitro group at C8 facilitates sequential functionalization via reduction or nucleophilic substitution. Its stability under standard reaction conditions and compatibility with diverse coupling partners make it well-suited for constructing complex isoquinoline-based scaffolds in API 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

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Computational Chemistry Data

  • TPSA   56.03
  • LogP   2.9055
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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