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4H-3,1-benzoxathiin-4-one is a chemical compound with the molecular formula C8H7OS. It is a heterocyclic compound, specifically a benzoxathiin derivative, which features a benzene ring fused to a thiophene ring with an oxygen atom in the 4-position. 4H-3,1-benzoxathiin-4-one is known for its potential applications in the synthesis of various pharmaceuticals and agrochemicals due to its unique structure and reactivity. It can be used as an intermediate in the preparation of complex organic molecules, particularly those with potential biological activity. The compound's properties, such as its stability and reactivity, make it a valuable building block in organic synthesis.

5651-33-2

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5651-33-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5651-33-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,6,5 and 1 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 5651-33:
(6*5)+(5*6)+(4*5)+(3*1)+(2*3)+(1*3)=92
92 % 10 = 2
So 5651-33-2 is a valid CAS Registry Number.

5651-33-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,1-benzoxathiin-4-one

1.2 Other means of identification

Product number -
Other names 3,1-benzoxathian-4-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5651-33-2 SDS

5651-33-2Relevant academic research and scientific papers

SULFURANYL RADICAL STRUCTURE AND REACTIONS OF o-(THIO)BENZOYLOXYL RADICALS FORMED BY THE DECOMPOSITION OF t-BUTYL o-(THIO)-PERBENZOATES STUDIED BY 1H AND 13C CIDNP AND 17O NMR.

Nakanishi,Kusuyama,Ikeda,Iwamura

, p. 3123 - 3128 (2007/10/02)

**1H and **1**3C CIDNP signals were observed in the methyl group of o-(methylthio)benzoic acid and the methylene group of 3,1-benzoxathian-4-one during the thermal decomposition of t-butyl o-(methylthio)perbenzoate. The results show that the free 'o-(methylthio)benzoyloxyl radical' itself is better represented as the bridged sulfuranyl radical in which most of the spin density is localized at the sulfur atom rather than in the carboxyl. Thermolysis of t-butyl o-(methylthio)- and o-(phenylthio)perbenzoates-carbonyl-**1**7O was carried out and the oxygen labels were detected by **1**7O NMR spectroscopy. The migration of phenyl group and the peroxomonosulfate oxidation of o-(phenylthio)benzoic acid are also discussed.

The Thermal Decomposition of N,O-Diacyl-N-t-butylhydroxylamines. II. Thermal Rearrangement of O-Acyl-N--N-t-butylhydroxylamines

Uchida, Yuzuru,Kobayashi, Yusho,Kozuka, Seizi

, p. 1781 - 1786 (2007/10/02)

Several O-acyl-N--N-t-butylhydroxylamines (1) were prepared and their thermal decompositions were studied.The thermal decomposition of 1 at 200 deg C in o-dichlorobenzene gave N-t-butyl-2-(acyloxymethylthio)benzamide (4), the carboxylic acid derived from the acyl part of 1, and 2-t-butyl-1,2-benzothiazol-3(2H)-one as the main products, together with small amounts of 4H-3,1-benzoxathiin-4-one, N-t-butyl-2-(methylthio)benzamide, methyl ester of the carboxylic acid, and N-t-butylamide.The benzamide (4) was found to be an initial product of the thermolysis and the subsequent decomposition gave the carboxylic acid and other products.Pummerer type reaction, via acylaminosulfonium ion as the intermediate, was suggested for the thermal decomposition of 1 since similar products were also obtained by the Pummerer reaction of N-t-butyl-2-(methylsulfinyl)benzamide with acylating reagents.

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