17721-45-8

Basic information

• Product Name: 1-[(4-methylphenyl)sulfonyl]azepane
• Synonyms: 1-((4-Methylphenyl)sulfonyl)azepane; 1H-azepine, hexahydro-1-[(4-methylphenyl)sulfonyl]-
• CAS NO: 17721-45-8
• Molecular Formula: C₁₃H₁₉NO₂S
• Molecular Weight: 253.3605
• Mol File: 17721-45-8.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 383.4°C at 760 mmHg
• Flash Point: 185.7°C
• Density: 1.157g/cm³
• Vapor Pressure: 4.41E-06mmHg at 25°C
• Refractive Index: 1.551
• CAS DataBase Reference: 1-[(4-methylphenyl)sulfonyl]azepane(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[(4-methylphenyl)sulfonyl]azepane(17721-45-8)
• EPA Substance Registry System: 1-[(4-methylphenyl)sulfonyl]azepane(17721-45-8)

Safety Data

• Hazardous Substances Data: 17721-45-8(Hazardous Substances Data)

Usage

Chemical class

Phenyl sulfones This compound belongs to a class of organic compounds that contain a phenyl group attached to a sulfonyl group.

Azepane derivative

Contains an azepane ring Azepane is a seven-membered ring containing nitrogen atoms, and this compound has a 4-methylphenylsulfonyl group attached to it.

4-methylphenylsulfonyl group

A functional group attached to the azepane ring This group consists of a phenyl ring with a methyl group at the para position (4th position) and a sulfonyl group attached to it.

Potential pharmaceutical applications

Possible use in drug development The compound may have potential applications in the pharmaceutical industry, but its precise uses are still under investigation.

Synthesis of other pharmaceuticals

Used as a building block 1-[(4-methylphenyl)sulfonyl]azepane may be used in the synthesis of other pharmaceutical compounds, contributing to the development of new drugs.

Ongoing research

Further investigation required The compound's properties and uses are still being studied, making it a promising subject for research and development in organic chemistry and drug discovery.

Upstream product

• 82275-84-1 N-tosyl-6-bromohexylamine 
• 111-49-9 hexamethylene imine 
• 824-79-3 sodium 4-methylbenzenesulfinate 
• 98-59-9 p-toluenesulfonyl chloride 
• 63-74-1 sulfanilamide 
• 592-90-5 oxepane 
• 70-55-3 toluene-4-sulfonamide 
• 1136117-78-6 6-(4-methylphenylsulfonamido)hexyl 2-(hex-1-ynyl)-benzoate 
• 105-60-2 caprolactam 
• 629-03-8 1 ,6-dibromohexane 

Downstream Products

• 111-49-9 hexamethylene imine 
• 433-06-7 2,2,2-Trifluoroethyl p-toluenesulfonate 
• 1438842-93-3 1-tosylazepane-2-carbonitrile 

Relevant articles and documents

Electrochemical synthesis of sulfonamides from arenesulfonohydrazides or sodium p-methylbenzenesulfinate and amines

An efficient electrochemical synthesis of sulfonamides (yields 56–98%) from arenesulfonohydrazides or sodium p-methylbenzenesulfinate and amines was performed in an undivided cell with graphite anode and iron cathode in MeCN–H2O medium using halides as redox mediators and supporting electrolytes.

Iodine-catalyzed expeditious synthesis of sulfonamides from sulfonyl hydrazides and amines

A new synthesis of sulfonamides has been developed via an iodine-catalyzed sulfonylation of amines with arylsulfonyl hydrazides. This metal-free strategy employs readily accessible and easy to handle starting materials, catalysts and oxidants, and can be easily conducted under mild conditions, providing a convenient access to a wide range of sulfonamides in moderate to excellent yields within a short reaction time.

Tandem ring-closing metathesis/transfer hydrogenation: Practical chemoselective hydrogenation of alkenes

An operationally simple chemoselective transfer hydrogenation of alkenes using ruthenium metathesis catalysts is presented. Of great practicality, the transfer hydrogenation reagents can be added directly to a metathesis reaction and effect hydrogenation of the product alkene in a single pot at ambient temperature without the need to seal the vessel to prevent hydrogen gas escape. The reduction is applicable to a range of alkenes and can be performed in the presence of aryl halides and benzyl groups, a notable weakness of Pd-catalyzed hydrogenations. Scope and mechanistic considerations are presented.