676138-32-2

Basic information

• Product Name: 1-(3-broMophenyl)cyclohexanecarbonitrile
• Synonyms: 1-(3-broMophenyl)cyclohexanecarbonitrile;CYCLOHEXANECARBONITRILE, 1-(3-BROMOPHENYL)-;1-(3-bromophenyl)cyclohexane-1-carbonitrile
• CAS NO: 676138-32-2
• Molecular Formula: C₁₃H₁₄BrN
• Molecular Weight: 264.16096
• Mol File: 676138-32-2.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-(3-broMophenyl)cyclohexanecarbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-broMophenyl)cyclohexanecarbonitrile(676138-32-2)
• EPA Substance Registry System: 1-(3-broMophenyl)cyclohexanecarbonitrile(676138-32-2)

Safety Data

• Hazardous Substances Data: 676138-32-2(Hazardous Substances Data)

Upstream product

• 111-24-0 1,5-dibromo-pentane 
• 31938-07-5 (3-bromophenyl)acetonitrile 
• 6952-59-6 3-cyanobromobenzene 

Downstream Products

• 1419174-63-2 1-(3'-methyl-[1,1'-biphenyl]-3-yl)cyclohexanecarboxylic acid 
• 1419174-58-5 5-(m-tolyl)-2H-spiro[benzofuran-3,1'-cyclohexan]-2-one 
• 1160500-44-6 (1-(3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)cyclohexyl)methanamine 
• 676138-33-3 1-(3-bromophenyl)cyclohexanecarboxamide 

Relevant articles and documents

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PKCθ plays an important role in T cell biology and is a validated target for a number of disease states. A series of potent and selective PKCθ inhibitors were designed and synthesized starting from a HTS hit compound. Cell activity, while initially a challenge to achieve, was built into the series by transforming the nitrile unit of the scaffold into a primary amine, the latter predicted to form a new hydrogen bond to Asp508 near the entrance of the ATP binding site of PKCθ. Significant improvements in physiochemical parameters were observed on introduction of an oxetane group proximal to a primary amine leading to compound 22, which demonstrated a reduction of symptoms in a mouse model of multiple sclerosis.

NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES

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Palladium-catalyzed direct lactonization of 2-arylacetic acids through a reaction sequence that includes C-H activation/C-O formation is reported. This method provides a concise and efficient pathway to synthesize fully functionalized benzofuranone derivatives, which are highly relevant to bioactive natural and synthetic products.

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