862731-12-2

Basic information

• Product Name: 4-(3-chlorophenoxy)benzonitrile
• Synonyms: 4-(3-chlorophenoxy)benzonitrile;Benzonitrile, 4-(3-chlorophenoxy)-
• CAS NO: 862731-12-2
• Molecular Formula: C13H8ClNO
• Molecular Weight: 229.66
• Mol File: 862731-12-2.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-(3-chlorophenoxy)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3-chlorophenoxy)benzonitrile(862731-12-2)
• EPA Substance Registry System: 4-(3-chlorophenoxy)benzonitrile(862731-12-2)

Safety Data

• Hazardous Substances Data: 862731-12-2(Hazardous Substances Data)

Upstream product

• 62790-87-8 4-(tert-butyldimethylsilyloxy)anisole 
• 1194-02-1 4-fluorobenzonitrile 
• 108-43-0 3-monochlorophenol 
• 126644-71-1 1-<(tert-butyldimethylsilyl)oxy>-3-chlorobenzene 

Relevant articles and documents

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Discovery of N-{4-[(3-hydroxyphenyl)-3-methylpiperazin-1-yl]methyl-2- methylpropyl}-4-phenoxybenzamide analogues as selective kappa opioid receptor antagonists

There is continuing interest in the discovery and development of new κ opioid receptor antagonists. We recently reported that N-substituted 3-methyl-4-(3-hydroxyphenyl)piperazines were a new class of opioid receptor antagonists. In this study, we report the syntheses of two piperazine JDTic-like analogues. Evaluation of the two compounds in an in vitro [35S] GTPγS binding assay showed that neither compound showed the high potency and κ opioid receptor selectivity of JDTic. A library of compounds using the core scaffold 21 was synthesized and tested for their ability to inhibit [35S]GTPγS binding stimulated by the selective κ opioid agonist U69,593. These studies led to N-[(1S)-1-{[(3S)-4-(3-hydroxyphenyl)-3- methylpiperazin-1-yl]methyl}-2-methylpropyl]-4-phenoxybenzamide (11a), a compound that showed good κ opioid receptor antagonist properties. An SAR study based on 11a provided 28 novel analogues. Evaluation of these 28 compounds in the [35S]GTPγS binding assay showed that several of the analogues were potent and selective κ opioid receptor antagonists.

P(i-BuNCH2CH2)3N: an efficient promoter for the microwave synthesis of diaryl ethers

With the title proazaphosphatrane as a promoter, the coupling of aryl fluorides with aryl TBDMS ethers under microwave conditions gave moderate to high yields of the desired products at low catalyst loadings and in short times. In this methodology, electron deficient aryl fluorides possessing substituents, such as nitro, cyano, and ester, were coupled with sterically demanding aryl TBDMS ethers as well as with aryl TBDMS ethers bearing a variety of functionalities such as methoxy, halo, and cyano groups.

P(i-BuNCH2CH2)3N: An efficient promoter for the nucleophilic aromatic substitution reaction of aryl fluorides with aryl TBDMS (or TMS) ethers

(Chemical Equation Presented) The nucleophilic aromatic substitution reaction between electron-deficient aryl fluorides and aryl TBDMS (or TMS) ethers has been shown to be efficiently promoted by proazaphosphatranes such as P(i-BuNCH2CH2)3N (3). Excellent yields of diaryl ether products were obtained under unusually mild conditions.