906820-09-5

Basic information

• Product Name: 4-fluoroisoquinoline sulfate
• Synonyms: Isoquinoline, 4-fluoro-, sulfate (1:1);4-Fluoroisoquinoline sulfate (1:1);4-fluoroisoquinoline sulfurate
• CAS NO: 906820-09-5
• Molecular Formula: C₉H₆FN*H₂O₄S
• Molecular Weight: 245.2275232
• Mol File: 906820-09-5.mol
• Article Data: 4

Chemical Properties

• Melting Point: 166-167 °C
• Appearance: /
• Storage Temp.: Inert atmosphere,Room Temperature
• CAS DataBase Reference: 4-fluoroisoquinoline sulfate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-fluoroisoquinoline sulfate(906820-09-5)
• EPA Substance Registry System: 4-fluoroisoquinoline sulfate(906820-09-5)

Safety Data

• Hazardous Substances Data: 906820-09-5(Hazardous Substances Data)

Usage

General Description

4-Fluoroisoquinoline sulfate is a chemical compound that belongs to the class of fluoroisoquinolines, which are heterocyclic compounds containing a fluorine atom. It is commonly used in research and chemical synthesis as a building block in the production of pharmaceuticals and agrochemicals. The sulfate salt form of 4-fluoroisoquinoline is often used as a reagent in organic synthesis reactions due to its stability and solubility in various solvents. This chemical compound has also been studied for its potential pharmacological properties, including its use as an antimalarial and antitumor agent. However, it is important to handle 4-fluoroisoquinoline sulfate with caution, as it is considered to be hazardous and may pose health risks if not handled properly.

InChI:InChI=1S/C9H6FN.H2O4S/c10-9-6-11-5-7-3-1-2-4-8(7)9;1-5(2,3)4/h1-6H;(H2,1,2,3,4)

Upstream product

• 1532-71-4 1-bromoisoquinoline 
• 394-67-2 4--fluoroisoquinoline 

Downstream Products

• 906820-08-4 4-fluoroisoquinoline-5-sulfonyl chloride hydrochloride 
• 194032-33-2 4-fluoro-5-isoquinolinesulfonyl chloride 
• 223644-02-8 4-fluoro-5-[[(2S)-hexahydro-2-methyl-1H-1,4-diazepin-1-yl]sulfonyl]isoquinoline hydrochloride 
• 1334294-10-8 C₉H₅ClFNO₂S*ClH 

Relevant articles and documents

Synthesis method of 4-fluoroisoquinoline sulfate

The invention discloses a synthesis method of 4-fluoroisoquinoline sulfate, the synthesis method comprises the following steps: S1: putting 1-bromine isoquinoline, an NFSI reagent and acetonitrile into a reaction kettle, sufficiently and uniformly stirring, starting the reaction kettle to enable the reaction temperature to be about 60-65 DEG C, and setting the reaction time to be 6-24 hours; afterthe reaction is finished, spin-drying the organic solvent in the reaction liquid through a vacuum rotary dryer, adding water into the reaction liquid, carrying out water-phase extraction work by using dichloromethane, and combining an organic phase; then adjusting the pH value of the organic phase by using a sodium bicarbonate solution, washing the organic phase by using a sodium chloride solution after the adjustment is finished, and carrying out vacuum spin-drying on the organic phase by using a vacuum rotary dryer so as to synthesize the 1-bromo-4-fluoroisoquinoline. The method is reasonable in design, the preparation steps of the isoquinoline compound can be shortened, the production and synthesis efficiency of the isoquinoline compound can be improved, and then the market requirements are met.

PROCESS FOR PRODUCTION OF 4-FLUOROISOQUINOLINE-5-SULFONYL HALIDE OR SALT THEREOF

To provide an effective and simple process for producing 4-fluoroisoquinoline-5-sulfonyl halide or a salt thereof, and a simple method for separating for purification of the product from a by-produced position isomer thereof. The process for producing 4-fluoroisoquinoline-5-sulfonyl halide or a salt thereof, characterized in that the process includes reacting 4-fluoroisoquinoline or a salt thereof with sulfuric anhydride in the presence or absence of sulfuric acid, to thereby form 4-fluoroisoquinoline-5-sulfonic acid or a salt thereof, and, subsequently, reacting the formed sulfonic acid compound with a halogenating reagent.