329944-63-0

Basic information

• Product Name: 3-chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile
• Synonyms: 3-Chloro-5-(5-chloro-2-methoxy-benz; oyl)-benzonitrile; 3-Chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile; benzonitrile, 3-chloro-5-(5-chloro-2-methoxybenzoyl)-
• CAS NO: 329944-63-0
• Molecular Formula: C₁₅H₉Cl₂NO₂
• Molecular Weight: 306.1435
• Mol File: 329944-63-0.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 497.964°C at 760 mmHg
• Flash Point: 254.96°C
• Density: 1.406g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.623
• CAS DataBase Reference: 3-chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile(329944-63-0)
• EPA Substance Registry System: 3-chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile(329944-63-0)

Safety Data

• Hazardous Substances Data: 329944-63-0(Hazardous Substances Data)

Upstream product

• 329944-59-4 (3-bromo-5-chlorophenyl)(5-chloro-2-methoxyphenyl)methanone 
• 143-33-9 sodium cyanide 
• 557-21-1 dicyanozinc 
• 187396-78-7 5-chloro-N,2-dimethoxy-N-methylbenzamide 
• 626-39-1 1,3,5-trisbromobenzene 
• 3438-16-2 5-chloro-2-methoxybenzoic acid 
• 14862-52-3 1,3-dibromo-5-chlorobenzene 
• 29568-33-0 2-methoxy-5-chlorobenzoyl chloride 
• 304854-55-5 3-bromo-5-chlorobenzenenitrile 
• 915763-60-9 3-chloro-5-cyanophenylboronic acid 
• 7035-09-8 5-chloro-2-methoxybenzaldehyde 

Downstream Products

• 329944-65-2 3-chloro-5-(5-chloro-2-hydroxybenzoyl)benzonitrile 
• 874889-42-6 [4-chloro-2-(3-chloro-5-cyanobenzoyl)phenoxy]acetyl chloride 
• 329946-46-5 ({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenyl}oxy)acetic acid 
• 329946-44-3 [4-chloro-2-(3-chloro-5-cyano-benzoyl)-phenoxy]-acetic acid ethyl ester 

Relevant articles and documents

Visible light-driven direct synthesis of ketones from aldehydes via C[sbnd]H bond activation using NiCu nanoparticles adorned on carbon nano onions

An efficient, straightforward and high yield synthetic approach is described for the direct synthesis of diaryl ketones via the C[sbnd]H bond activation of aldehydes using NiCu nanoparticles adorned on carbon nano onions as an efficient heterogeneous catalyst under the irradiation of a mercury-vapor lamp (400 w) via simple workup. This C[sbnd]H bond activation reaction appears simple and convenient with a wide substrate scope in view of its excellent synthesis prowess as illustrated in the preparation of new-approved anti-Alzheimer and anti-HIV medicinal compounds under greener and mild reaction conditions; catalyst could be recycled and reused five times without any loss of catalytic activity.

Open air palladium catalyzed cyanation-the use of PMHS to protect from oxygen

PMHS (polymethylhydrosiloxane) used in catalytic amounts has a remarkable ability to prevent catalyst poisoning by oxygen contamination during palladium catalyzed cyanation reactions. The procedure is applicable to a wide range of substrates and is so effective that it allows the reactions to be run fully open to the atmosphere.

Structure-activity relationship studies of novel benzophenones leading to the discovery of a potent, next generation HIV nonnucleoside reverse transcriptase inhibitor

Despite the progress of the past two decades, there is still considerable need for safe, efficacious drugs that target human immunodeficiency virus (HIV). This is particularly true for the growing number of patients infected with virus resistant to currently approved HIV drugs. Our high throughput screening effort identified a benzophenone template as a potential nonnucleoside reverse transcriptase inhibitor (NNRTI). This manuscript describes our extensive exploration of the benzophenone structure-activity relationships, which culminated in the identification of several compounds with very potent inhibition of both wild type and clinically relevant NNRTI-resistant mutant strains of HIV. These potent inhibitors include 70h (GW678248), which has in vitro antiviral assay IC50 values of 0.5 nM against wild-type HIV, 1 nM against the K103N mutant associated with clinical resistance to efavirenz, and 0.7 nM against the Y181C mutant associated with clinical resistance to nevirapine. Compound 70h has also demonstrated relatively low clearance in intravenous pharmacokinetic studies in three species, and it is the active component of a drug candidate which has progressed to phase 2 clinical studies.