214045-85-9

Basic information

• Product Name: 1(2H)-Isoquinolinone,6-fluoro-(9CI)
• Synonyms: 1(2H)-Isoquinolinone,6-fluoro-(9CI);6-Fluoroisoquinolin-1(2H)-one;6-fluoro-2H-isoquinolin-1-one;1(2H)-Isoquinolinone, 6-fluoro-;6-fluoro-1(2H)-Isoquinolinone;6-fluoro-1,2-dihydroisoquinolin-1-one;6-fluoroisoquinolin-1-ol
• CAS NO: 214045-85-9
• Molecular Formula: C₉H₆FNO
• Molecular Weight: 163.15
• Product Categories: HALIDE
• Mol File: 214045-85-9.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 392.615 °C at 760 mmHg
• Flash Point: 191.247 °C
• Appearance: /
• Density: 1.292 g/cm³
• Refractive Index: 1.571
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 12.31±0.20(Predicted)
• CAS DataBase Reference: 1(2H)-Isoquinolinone,6-fluoro-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1(2H)-Isoquinolinone,6-fluoro-(9CI)(214045-85-9)
• EPA Substance Registry System: 1(2H)-Isoquinolinone,6-fluoro-(9CI)(214045-85-9)

Safety Data

• Hazardous Substances Data: 214045-85-9(Hazardous Substances Data)

Usage

General Description

1(2H)-Isoquinolinone,6-fluoro-(9CI) is a chemical compound with the molecular formula C9H6FNO. It is a derivative of isoquinolinone, which is a heterocyclic compound containing a fused ring system with a benzene ring and a pyridine ring. The addition of a fluorine atom at the 6 position of the isoquinolinone ring gives this compound its unique properties. The presence of the fluorine atom can impact the chemical and physical characteristics of the compound, potentially leading to changes in reactivity, solubility, and biological activity. This chemical may have applications in various industrial processes, pharmaceuticals, and research.

InChI:InChI=1/C9H6FNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12)

Upstream product

• 13565-05-4 (E)-3-(3-fluorophenyl)acryloyl chloride 
• 214045-84-8 6-fluoro-3,4-dihydro-2H-isoquinolin-1-one 
• 13162-05-5 n-vinylformamide 
• 456-22-4 4-Fluorobenzoic acid 
• 36282-26-5 2-bromo-4-fluorobenzonitrile 
• 700-84-5 5-fluoro-1-indanone 
• 1075-11-2 6-fluoroisoquinoline 
• 1008-86-2 6-fluoroisoquinoline 2-oxide 
• 403-43-0 4-fluorobenzoyl chloride 
• 108-05-4 vinyl acetate 
• 400076-38-2 N-tert-pentanoyloxy-p-fluorobenzamide 

Downstream Products

• 608515-77-1 6-fluoro-1-methylisoquinoline 
• 923023-34-1 6-fluoro-2-(4-methoxy-benzyl)-2H-isoquinolin-1-one 
• 214045-86-0 1-chloro-6-fluoroisoquinoline 

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.

Aromatic compounds and preparation method and application thereof

The invention discloses aromatic compounds and a preparation method and application thereof. The preparation method of the aromatic compounds includes the step of performing a cyclization reaction between an amide compound and a benzoic acid compound in the presence of a rhodium catalyst, a metal oxidant and base, wherein the aromatic compounds are isoquinolinone compounds or isocoumarin derivatives, and the amide compound is N-vinylformamide or N-vinylacetamide. Through the synergistic effect of the rhodium catalyst, the metal oxidant and the base, the isoquinolinone compounds or isocoumarinderivatives are obtained through the one-step reaction between the benzoic acid compound and the amide compound. The reaction has simple operation, the raw materials are cheap and easily available, reaction substrates can be selected flexibly according to the required isoquinolinone compounds and the isocoumarin derivatives, and the synthesized isoquinolinone compounds and the isocoumarin derivatives can be used as a backbone structure in multiple biologically active molecules and natural products, and have high practicality.

Rhodium(III)-catalyzed C-H activation/annulation with vinyl esters as an acetylene equivalent

The behavior of electron-rich alkenes in rhodium-catalyzed C-H activation/annulation reactions is investigated. Vinyl acetate emerges as a convenient acetylene equivalent, facilitating the synthesis of sixteen 3,4-unsubstituted isoquinolones, as well as select heteroaryl-fused pyridones. The complementary regiochemical preferences of enol ethers versus enol esters/enamides is discussed.