41887-86-9

Basic information

• Product Name: 1-Benzothiepin 1,1-dioxide
• Synonyms: 1-Benzothiepin 1,1-dioxide
• CAS NO: 41887-86-9
• Molecular Formula: C10H8O2S
• Molecular Weight: 192.2343
• Mol File: 41887-86-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 408.7°Cat760mmHg
• Flash Point: 268.9°C
• Appearance: /
• Density: 1.306g/cm³
• Vapor Pressure: 1.63E-06mmHg at 25°C
• Refractive Index: 1.622
• CAS DataBase Reference: 1-Benzothiepin 1,1-dioxide(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Benzothiepin 1,1-dioxide(41887-86-9)
• EPA Substance Registry System: 1-Benzothiepin 1,1-dioxide(41887-86-9)

Safety Data

• Hazardous Substances Data: 41887-86-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H8O2S/c11-13(12)8-4-3-6-9-5-1-2-7-10(9)13/h1-8H

Upstream product

• 264-82-4 benzothiepin 
• 107798-86-7 1-Benzothiepin-5(4H)-on 
• 121583-89-9 5-Hydroxy-4,5-dihydro-1-benzothiepin 
• 117985-27-0 (C₁₀H₈SO₂)Fe(CO)3 

Downstream Products

• 5395-30-2 2,3,4,5-Tetrahydro-benzothiepin-1,1-dioxid 

Relevant articles and documents

Heterocyclic Seven-Membered Ring Compounds, XXXIV . A Simple Synthesis of 1-Benzoxepine and 1-Benzothiepine

Base induced isomerization of 1-benzoxepin-5(2H)-one (1a) yields 1-benzoxepin-5(4H)-one (4a) which gives the unsaturated alcohol 5a on treatment with Ce(III)chloride/sodiumboranate.Subsequent reaction of 5a with p-toluenesulfonylchloride and then, without isolation of the intermediate, with base yields 1-benzoxepine (6a).With tetracyanoethylene 6a forms the corresponding diene-adduct.The same reaction sequence was realized in the analogous sulfur series, yielding 1-benzothiepine (6b). - Keywords: Double-Bond Isomerization, Seven-Membered Ring Ketones, Reduction, Dehydration, Heterocyclic Seven-Membered Ring Compounds