62043-70-3

Basic information

• Product Name: Benzonitrile, 4-(3-chloro-2-oxopropyl)-
• Synonyms: Benzonitrile,4-(3-chloro-2-oxopropyl)
• CAS NO: 62043-70-3
• Molecular Formula: C10H8ClNO
• Molecular Weight: 193.633
• Mol File: 62043-70-3.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Benzonitrile, 4-(3-chloro-2-oxopropyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 4-(3-chloro-2-oxopropyl)-(62043-70-3)
• EPA Substance Registry System: Benzonitrile, 4-(3-chloro-2-oxopropyl)-(62043-70-3)

Safety Data

• Hazardous Substances Data: 62043-70-3(Hazardous Substances Data)

Upstream product

• 5462-71-5 4-cyanophenylacetic acid 
• 67442-07-3 2-chloro-N-methoxy-N-methylacetamide 
• 135579-87-2 4-cyano-benzylzinc bromide 
• 79-04-9 chloroacetyl chloride 
• 874-86-2 4-cyanobenzyl chloride 

Downstream Products

• 62043-81-6 3-(4-cyanophenyl)-2-oxopropyl acetate 

Relevant articles and documents

One-step synthesis of 1-chloro-3-arylacetone derivatives from arylacetic acids

A practical one-step method has been developed to prepare α-chloroketones from readily available, inexpensive phenylacetic acid derivatives. The method utilizes the unique reactivity of an intermediate Mg.enolate dianion, which displays selectivity for the carbonyl carbon of chloromethyl carbonyl electrophiles. Decarboxylation of the intermediate occurs spontaneously during the reaction quench. The utility of the reaction products has been demonstrated through the total synthesis of the natural product cimiracemate B.

2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[H] quinoline-4-carboxylic acid (PSI-697): Identification of a clinical candidate from the quinoline salicylic acid series of P-selectin antagonists

P-selectin-PSGL-1 interaction causes rolling of leukocytes on the endothelial cell surface, which subsequently leads to firm adherence and leukocyte transmigration through the vessel wall into the surrounding tissues. P-selectin is upregulated on the surface of both platelets and endothelium in a variety of atherosclerosis-associated conditions. Consequently, inhibition of this interaction by means of a small molecule P-selectin antagonist is an attractive strategy for the treatment of atherosclerosis. High-throughput screening and subsequent analoging had led to the identification of compound 1 as the lead candidate. Herein, we report the continuation of this work and the discovery of a second-generation series, the tetrahydrobenzoquinoline salicylic acids. These compounds have improved pharmacokinetic properties, and a number of them have shown oral efficacy in mouse and rat models of atherogenesis and vascular injury. The lead 31 (PSI-697), is currently in clinical development for the treatment of atherothrombotic vascular events.