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3-Chloroisoquinolin-1(2H)-one

  • CAS No. 7742-74-7

  • Cat. No. CS-0529565
  • Molecule weight179.60
  • Purity≥98%
  • MDL No.None

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

3-Chloroisoquinolin-1(2H)-one|CS-0529565

Structure of 7742-74-7

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General Information

  • CAS No. 7742-74-7
  • Cat. No. CS-0529565
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClNO
  • Molecular Weight 179.60
  • Synonym(s) 3-CHLORO-2H-ISOQUINOLIN-1-ONE
  • SMILES O=C1NC(Cl)=CC2=C1C=CC=C2

Description

3-Chloroisoquinolin-1(2H)-one features a chlorinated isoquinolinone scaffold with enhanced electron-withdrawing character, enabling direct incorporation into pharmaceutical intermediates. This bench-stable heterocycle integrates readily into diverse synthetic pathways, offering predictable reactivity in transition-metal-catalyzed coupling reactions and serving as a key structural motif in bioactive molecule design.

Application

3-Chloroisoquinolin-1(2H)-one serves as a versatile building block for the synthesis of isoquinoline-based pharmaceuticals and agrochemicals. Its chloro substituent enables palladium-catalyzed cross-coupling reactions, while the lactam functionality offers site-specific derivatization and enhanced solubility. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic campaigns 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   32.86
  • LogP   2.1815
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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