36452-23-0

Basic information

• Product Name: hexahydro-1-(phenylthio)-2H-azepin-2-one
• Synonyms: hexahydro-1-(phenylthio)-2H-azepin-2-one;N-PHENYLTHIO-EPSILON-CAPROLACTAM);1-(Phenylthio)hexahydro-1H-azepine-2-one;1-(Phenylthio)hexahydro-2H-azepine-2-one
• CAS NO: 36452-23-0
• Molecular Formula: C12H15NOS
• Molecular Weight: 221.3186
• EINECS: 253-045-5
• Mol File: 36452-23-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 343.4°Cat760mmHg
• Flash Point: 161.5°C
• Appearance: /
• Density: 1.17g/cm³
• Vapor Pressure: 7.07E-05mmHg at 25°C
• Refractive Index: 1.603
• CAS DataBase Reference: hexahydro-1-(phenylthio)-2H-azepin-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: hexahydro-1-(phenylthio)-2H-azepin-2-one(36452-23-0)
• EPA Substance Registry System: hexahydro-1-(phenylthio)-2H-azepin-2-one(36452-23-0)

Safety Data

• Hazardous Substances Data: 36452-23-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H15NOS/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2

Upstream product

• 105-60-2 caprolactam 
• 108-98-5 thiophenol 

Downstream Products

• 110452-14-7 2-phenylthiocyclohexanone 
• 82420-76-6 2-[(naphthalen-2-yl)sulfanyl]-1-phenylethanone 
• 5042-53-5 1-(phenylsulfanyl)acetone 
• 16222-10-9 1-phenyl-2-(phenylthio)ethanone 
• 105-60-2 caprolactam 
• 37471-41-3 3,3-dimethyl-1-(phenylthio)butan-2-one 
• 52190-40-6 2-(phenylthio)cyclopentanone 
• 129778-55-8 (3S,5S)-5-(tert-Butyl-diphenyl-silanyloxymethyl)-3-phenylsulfanyl-dihydro-furan-2-one 
• 129778-50-3 (3R,5S)-5-(tert-Butyl-diphenyl-silanyloxymethyl)-3-phenylsulfanyl-dihydro-furan-2-one 

Relevant articles and documents

Copper-Catalyzed Synthesis of N-Formyl/Acylsulfenamides and -thiosulfonamides

Recent remarkable success of copper-catalyzed oxidative bond formations led us to develop an environmentally benign copper-catalyzed sulfur-nitrogen bond-forming reaction to provide synthetically and industrially useful electron-deficient sulfenamides. The low nucleophilicity of N-formyl/acyl- and sulfonylamides was overcome by introducing a 1,5,7-triazabicyclo[4.4.0]dec-5-ene additive. A variety of N-formyl/acylsulfenamides and -thiosulfonamides were synthesized in good yields without over-oxidation of sulfur. Related mechanistic studies supported the proposed reaction mechanism.