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CS-W001157 4
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4-Bromo-6,7-dihydroisoquinolin-8(5H)-one

  • CAS No. 1428651-86-8

  • Cat. No. CS-0047443
  • Purity≥98%
  • MDL No.None

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

4-Bromo-6,7-dihydroisoquinolin-8(5H)-one|CS-0047443

Structure of 1428651-86-8

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General Information

  • CAS No. 1428651-86-8
  • Cat. No. CS-0047443
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrNO
  • Molecular Weight 226.07
  • Synonym(s) 4-BROMO-6,7-DIHYDROISOQUINOLIN-8(5H)-ONE(WXC07920)
  • SMILES O=C1C2=CN=CC(Br)=C2CCC1

Description

4-Bromo-6,7-dihydroisoquinolin-8(5H)-one features a brominated dihydroisoquinolinone core with enhanced electrophilicity at the carbonyl-bearing carbon. This scaffold integrates readily into heterocyclic syntheses and serves as a key intermediate for bioactive alkaloid analogs. The compound exhibits good stability under standard handling conditions and displays favorable solubility in common organic solvents.

Application

4-Bromo-6,7-dihydroisoquinolin-8(5H)-one serves as a versatile scaffold for medicinal chemistry and heterocyclic synthesis, offering a stable, bench-ready platform for late-stage functionalization. The bromine substituent enables palladium-catalyzed cross-coupling reactions, while the cyclic ketone functionality supports nucleophilic additions and reductive transformations. Its defined stereochemistry and compatibility with diverse reaction conditions make it ideal for building complex drug-like molecules and natural product analogs.

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   2.3631
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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