131002-09-0

Basic information

• Product Name: 6-chloroisoquinolin-1(2H)-one
• Synonyms: 6-chloroisoquinolin-1(2H)-one;6-chloroisoquinolin-1-ol;6-chloro-1(2H)-Isoquinolinone;6-chloro-2H-isoquinolin-1-one;6-chloro-1,2-dihydroisoquinolin-1-one
• CAS NO: 131002-09-0
• Molecular Formula: C₉H₆ClNO
• Molecular Weight: 179.60304
• Mol File: 131002-09-0.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 430.374 °C at 760 mmHg
• Flash Point: 214.083 °C
• Appearance: /
• Density: 1.34 g/cm³
• Vapor Pressure: 0.0±1.0 mmHg at 25°C
• Refractive Index: 1.609
• Storage Temp.: 2-8°C
• PKA: 12.06±0.20(Predicted)
• CAS DataBase Reference: 6-chloroisoquinolin-1(2H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 6-chloroisoquinolin-1(2H)-one(131002-09-0)
• EPA Substance Registry System: 6-chloroisoquinolin-1(2H)-one(131002-09-0)

Safety Data

• Hazardous Substances Data: 131002-09-0(Hazardous Substances Data)

Usage

General Description

6-Chloroisoquinolin-1(2H)-one is a chemical compound that belongs to the class of isoquinoline derivatives. It is a monocyclic compound containing a chloro substituent at position 6 and a ketone group at position 1. 6-Chloroisoquinolin-1(2H)-one has been studied for its potential pharmaceutical applications, particularly as a building block for the synthesis of various biologically active molecules. It has also been investigated for its potential as a pharmaceutical intermediate in the synthesis of drugs. Additionally, 6-Chloroisoquinolin-1(2H)-one has been examined for its chemical and physical properties, including its solubility, stability, and reactivity. Overall, this compound holds promise as a valuable building block in the field of medicinal chemistry and drug development.

InChI:InChI=1S/C9H6ClNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12)

Upstream product

• 21900-44-7 4-chloro-2-methylbenzoyl chloride 
• 7499-07-2 4-chloro-2-methylbenzoic acid 
• 62882-02-4 6-chloroisoquinoline 
• 13162-05-5 n-vinylformamide 
• 74-11-3 para-chlorobenzoic acid 
• 13078-79-0 2-(3-chlorophenyl)ethylamine 
• 22246-02-2 6-chloro-3,4-dihydro-1(2H)-isoquinolinone 
• 131002-01-2 2-bromo-4-chlorobenzamide 
• 131002-04-5 4-chloro-2-ethenylbenzamide 
• 57381-49-4 2-bromo-4-chloro-benzonitrile 

Downstream Products

• 630421-73-7 1,6-dichloroisoquinoline 
• 444898-43-5 C₃₅H₂₆ClNO₈ 

Relevant articles and documents

Synthesis of Isoquinolones by Sequential Suzuki Coupling of 2-Halobenzonitriles with Vinyl Boronate Followed by Cyclization

A novel, facile, and expeditious two-step synthesis of 3,4-unsubstituted isoquinolin-1(2H)-ones from a Suzuki cross-coupling between 2-halobenzonitriles and commercially available vinyl boronates followed by platinum-catalyzed nitrile hydrolysis and cyclization is described.

SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME

The present invention includes substituted arylmethyl ureas and heteroarylmethyl-ureas, and compositions comprising the same, that can be used to treat or prevent hepatitis B virus (HBV) infections in a patient.

Divergent Synthesis of Isoquinolone and Isocoumarin Derivatives by the Annulation of Benzoic Acid with N-Vinyl Amide

A simple and efficient method for the synthesis of isoquinolone and isocoumarin derivatives is reported. The method for the first time provides a one-step divergent synthesis of important isoquinolone and isocoumarin skeletons from benzoic acid by switching the coupling partners. In addition, a reliable mechanism has been proposed on the basis of experimental investigations, including kinetic isotope effect experiments, 13C labeling experiments, time-tracking experiments, and competitive experiments, as well as DFT calculation studies.