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1(2H)-Isoquinolinone, 3-(4-chlorophenyl)-, also known as 3-(4-chlorophenyl)-1,2-dihydro-2-oxo-isoquinoline, is a chemical compound belonging to the isoquinolinone family. It features a 1,2-dihydroisoquinoline backbone with a 4-chlorophenyl substituent and has a molecular formula of C15H10ClNO. This white to off-white solid at room temperature exhibits potential pharmacological properties and applications, particularly in the pharmaceutical industry, due to its unique structural features.

124394-22-5

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124394-22-5 Usage

Uses

Used in Pharmaceutical Industry:
1(2H)-Isoquinolinone, 3-(4-chlorophenyl)is used as a pharmaceutical compound for its potential therapeutic properties. Its unique structure and 4-chlorophenyl substituent may contribute to its pharmacological activity, making it a promising candidate for drug development. Further research and studies are necessary to fully understand its properties and explore its potential uses in various therapeutic applications.

Check Digit Verification of cas no

The CAS Registry Mumber 124394-22-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,4,3,9 and 4 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 124394-22:
(8*1)+(7*2)+(6*4)+(5*3)+(4*9)+(3*4)+(2*2)+(1*2)=115
115 % 10 = 5
So 124394-22-5 is a valid CAS Registry Number.

124394-22-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(4-chlorophenyl)-2H-isoquinolin-1-one

1.2 Other means of identification

Product number -
Other names 3-(4-chlorophenyl)isoquinolin-1(2H)-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:124394-22-5 SDS

124394-22-5Relevant academic research and scientific papers

Dienediolates of α,β-unsaturated carboxylic acids in synthesis: A new synthetic method to 2-pyridones

Brun, Eva M.,Gil, Salvador,Mestres, Ramón,Parra, Margarita

, p. 1088 - 1090 (1999)

We report a simple procedure for the preparation of 4,6-disubstituted and 3,4,6-trisubstituted-2-pyridones and 3-substituted-1-isoquinolones, in good yields, from lithium dienediolates of α,β-unsaturated carboxylic acids and nitriles.

Nickel-Catalyzed Tandem Reaction of Functionalized Arylacetonitriles with Arylboronic Acids in 2-MeTHF: Eco-Friendly Synthesis of Aminoisoquinolines and Isoquinolones

Zhen, Qianqian,Chen, Lepeng,Qi, Linjun,Hu, Kun,Shao, Yinlin,Li, Renhao,Chen, Jiuxi

supporting information, p. 106 - 111 (2019/12/11)

The first example of the nickel-catalyzed tandem addition/cyclization of 2-(cyanomethyl)benzonitriles with arylboronic acids in 2-MeTHF has been developed, which provides the facile synthesis of aminoisoquinolines with good functional group tolerance under mild conditions. This chemistry has also been successfully applied to the synthesis of isoquinolones by the tandem reaction of methyl 2-(cyanomethyl)benzoates with arylboronic acids. The use of the bio-based and green solvent 2-MeTHF as the reaction medium makes the synthesis process environmentally benign. The synthetic utility of this chemistry is also indicated by the synthesis of biologically active molecules.

Tandem addition/cyclization for access to isoquinolines and isoquinolones via catalytic carbopalladation of nitriles

Qi, Linjun,Hu, Kun,Yu, Shuling,Zhu, Jianghe,Cheng, Tianxing,Wang, Xiaodong,Chen, Jiuxi,Wu, Huayue

supporting information, p. 218 - 221 (2017/11/27)

The first example of the palladium-catalyzed sequential nucleophilic addition followed by an intramolecular cyclization of functionalized nitriles with arylboronic acids has been achieved, providing an efficient synthetic pathway to access structurally di

Copper-catalyzed selective synthesis of isoindolin-1-ones and isoquinolin-1-ones from the three-component coupling of 2-halobenzoic acid, alkynylcarboxylic acid and ammonium acetate

Irudayanathan, Francis Mariaraj,Noh, Jieun,Choi, Jinseop,Lee, Sunwoo

, p. 3433 - 3442 (2015/01/09)

Isoindolin-1-ones and isoquinolin-1-ones were selectively synthesized from the reaction of 2-halobenzoic acid, arylalkynylcarboxylic acid and ammonium acetate (NH4OAc) in the presence of cesium carbonate (Cs2CO3) and a copper catalyst. Conducting the reaction under one-pot conditions provided isoindolin-1-ones in good yields. Changing the addition sequence of ammonium acetate after all reagents had reacted at 120 °C for 6 h selectively produced isoquinolin-1-ones. A variety of arylalkynylcarboxylic acids produced the corresponding isoindolin-1-ones and isoquinolin-1-ones in good yields.

Synthesis of functionalized isoquinolin-1(2H)-ones by copper-catalyzed α-arylation of ketones with 2-halobenzamides

Shi, Yan,Zhu, Xuebin,Mao, Haibin,Hu, Hongwen,Zhu, Chengjian,Cheng, Yixiang

supporting information, p. 11553 - 11557 (2013/09/12)

Copper is key: A concise route to isoquinolin-1(2H)-ones from simple and readily available starting materials is provided by an efficient copper-catalyzed annulation of ketones with 2-halobenzamides. The method is applicable to a wide range of ketones con

Synthesis of new 3-arylisoquinolinamines: Effect on topoisomerase I inhibition and cytotoxicity

Cho, Won-Jea,Min, Sun Young,Le, Thanh Nguyen,Kim, Tae Sung

, p. 4451 - 4454 (2007/10/03)

To investigate the structure-activity relationships of 3-arylisoquinolines, diverse substituted 3-aryisoquinolinamines were synthesized and tested in vitro antitumor activity against four tumor cell lines. Some of the compounds showed potent topoisomerase I inhibitory activity. Docking study of 7d with topoisomerase I-DNA complex was also performed.

A new synthetic method to 2-pyridones

Brun, Eva M.,Gil, Salvador,Mestres, Ramon,Parra, Margarita

, p. 273 - 280 (2007/10/03)

We report here a simple procedure for the preparation of 4,6- disubstituted- and 3,4,6-trisubstituted-2-pyridones and 3-substituted- isoquinol-1-ones, in good yields, from lithium diene-diolates and nitriles.

Organopalladium mediated synthesis of isocarbostyrils

Nagarajan, A.,Balasubramanian, Tiruvenkat R.

, p. 67 - 68 (2007/10/02)

3-Substituted-isocarbostyrils have been synthesised by the cyclisation of 2-alkynylbenzamides with palladium reagents.

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