913613-82-8

Basic information

• Product Name: 2(1H)-Quinolinone,7-(4-chlorobutoxy)-
• Synonyms: 2(1H)-Quinolinone,7-(4-chlorobutoxy)-;7-(4-Chlorobutoxy)-1H-quinolin-2-one;7-(4-Chlorobutoxy)quinolin-2(1H)-one;7-(4-chlorobutoxy)-2(1H)-Quinolinone
• CAS NO: 913613-82-8
• Molecular Formula: C13H14ClNO2
• Molecular Weight: 251.71
• Mol File: 913613-82-8.mol
• Article Data: 29

Chemical Properties

• Boiling Point: 460.8±45.0 °C(Predicted)
• Appearance: /
• Density: 1.216±0.06 g/cm3(Predicted)
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: Chloroform (Slightly, Sonicated), DMSO (Slightly, Sonicated)
• PKA: 11.21±0.70(Predicted)
• CAS DataBase Reference: 2(1H)-Quinolinone,7-(4-chlorobutoxy)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2(1H)-Quinolinone,7-(4-chlorobutoxy)-(913613-82-8)
• EPA Substance Registry System: 2(1H)-Quinolinone,7-(4-chlorobutoxy)-(913613-82-8)

Safety Data

• Hazardous Substances Data: 913613-82-8(Hazardous Substances Data)

Usage

Description

2(1H)-Quinolinone,7-(4-chlorobutoxy)is a chemical compound that serves as an impurity in Brexipiprazole (B677385), a drug candidate used for the treatment and prevention of mental disorders, particularly CNS disorders.

Uses

Used in Pharmaceutical Industry:
2(1H)-Quinolinone,7-(4-chlorobutoxy)is used as an impurity in the development and manufacturing process of Brexipiprazole (B677385) for its potential role in treating mental disorders, including CNS disorders. Its presence, however, needs to be carefully managed and controlled to ensure the safety and efficacy of the drug.

Upstream product

• 6940-78-9 4-chlorobutyl bromide 
• 70500-72-0 7-hydroxy-1H-quinolin-2-one 
• 110-56-5 1,4-dichlorobutane 
• 120004-79-7 7-(4-chlorobutoxy)-3,4-dihydroquinoline-2(1H)-one 
• 22246-18-0 7-hydroxy-3,4-dihydro-2-(1H)-quinolinone 
• 50297-40-0 3-chloro-N-(3-hydroxyphenyl)propanamide 
• 591-27-5 m-Hydroxyaniline 

Downstream Products

• 2094559-58-5 7-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)-1-(4-((2-oxo-1,2-dihydroquinolin-7-yl)oxy)butyl)quinoline-2(1H)-one 

Relevant articles and documents

Site-Selective Acceptorless Dehydrogenation of Aliphatics Enabled by Organophotoredox/Cobalt Dual Catalysis

The value of catalytic dehydrogenation of aliphatics (CDA) in organic synthesis has remained largely underexplored. Known homogeneous CDA systems often require the use of sacrificial hydrogen acceptors (or oxidants), precious metal catalysts, and harsh reaction conditions, thus limiting most existing methods to dehydrogenation of non- or low-functionalized alkanes. Here we describe a visible-light-driven, dual-catalyst system consisting of inexpensive organophotoredox and base-metal catalysts for room-temperature, acceptorless-CDA (Al-CDA). Initiated by photoexited 2-chloroanthraquinone, the process involves H atom transfer (HAT) of aliphatics to form alkyl radicals, which then react with cobaloxime to produce olefins and H2. This operationally simple method enables direct dehydrogenation of readily available chemical feedstocks to diversely functionalized olefins. For example, we demonstrate, for the first time, the oxidant-free desaturation of thioethers and amides to alkenyl sulfides and enamides, respectively. Moreover, the system's exceptional site selectivity and functional group tolerance are illustrated by late-stage dehydrogenation and synthesis of 14 biologically relevant molecules and pharmaceutical ingredients. Mechanistic studies have revealed a dual HAT process and provided insights into the origin of reactivity and site selectivity.

Preparation method of brexpiprazole intermediate 7-hydroxy-1H-quinoline-2-ketone

The invention belongs to the field of chemical engineering, and particularly relates to a preparation method of a brexpiprazole intermediate 7-hydroxy-1H-quinoline-2-ketone. According to the novel method for preparing the 7-hydroxy-1H-quinoline-2-ketone, DDQ is replaced with palladium on carbon, the obtained product is high in yield, few in impurity and easy to operate, the catalyst can be recycled, a target compound is synthesized through direct catalytic dehydrogenation, and the method has green atom economy and is suitable for industrial production.

Preparation method and application of substituted quinoline-2(1H)-one compound

The invention belongs to the field of pharmaceutical chemistry and chemical synthesis, and concretely relates to a preparation method of a substituted quinoline-2(1H)-one compound. The invention provides a preparation method of the substituted quinoline-2(1H)-one compound. The preparation method performs an oxidation reaction on a compound represented by a formula I and an oxidant in a solvent toobtain a compound represented by a formula II. The preparation method has the advantages of simple method, high yield and low cost and is suitable for industrial production. The substituted quinoline-2(1H)-one represented by the formula II is an important intermediate of a variety of pharmaceutical active ingredients.