52059-59-3

Basic information

• Product Name: (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one
• CAS NO: 52059-59-3
• Molecular Formula: C₈H₅NO₃S
• Molecular Weight: 195.1952
• Mol File: 52059-59-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 322.6°C at 760 mmHg
• Flash Point: 148.9°C
• Density: 1.571g/cm³
• Vapor Pressure: 0.000277mmHg at 25°C
• Refractive Index: 1.683
• CAS DataBase Reference: (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one(52059-59-3)
• EPA Substance Registry System: (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one(52059-59-3)

Safety Data

• Hazardous Substances Data: 52059-59-3(Hazardous Substances Data)

Usage

Description

(5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one, also known as cyclohexane-1,3,4-thiadiazol-2(3H)-one, is a heterocyclic compound that features both sulfur and oxygen atoms in its structure. As a cyclic thioamide derivative, it possesses unique structural and functional properties that may be of interest in pharmaceutical and agrochemical applications.

Uses

Used in Pharmaceutical Industry:
(5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one is used as a potential active pharmaceutical ingredient for the development of new drugs. Its unique structure and functional groups may contribute to the creation of novel therapeutic agents that can target specific biological pathways or diseases.
Used in Agrochemical Industry:
In the agrochemical field, (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one is used as a potential component in the development of new pesticides or herbicides. Its chemical properties may allow for the creation of effective compounds that can protect crops and enhance agricultural productivity.
Further research and experimentation are required to fully understand the specific chemical properties and potential uses of (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one, as well as to determine its safety and efficacy in various applications.

Upstream product

• 2757-23-5 chloro(chlorosulfanyl)methanone 
• 65-45-2 salicylamide 

Downstream Products

• 52059-60-6 5-(o-acetoxyphenyl)-1,3,4-oxathiazol-2-one 
• 611-20-1 salicylonitrile 
• 118134-05-7 methyl 4-oxo-4H-<1>benzopyrano<4,3-c>isothiazole-3-carboxylate 
• 118134-03-5 ethyl 3-(2-hydroxyphenyl)-1,2,4-thiadiazole-5-carboxylate 
• 118134-16-0 ethyl 4-oxo-4H-<1>benzopyrano<4,3-c>isothiazole-3-carboxylate 
• 118134-09-1 diethyl 3-(o-hydroxyphenyl)4,5-dihydroisothiazole-4,5-dicarboxylate 
• 118134-15-9 4-oxo-4H-<1>benzopyrano<4,3-c>isothiazole 
• 118134-08-0 ethyl 3-(o-hydroxyphenyl)isothiazole-5-carboxylate 
• 100747-53-3 Phenyl-propynoic acid 2-(2-oxo-[1,3,4]oxathiazol-5-yl)-phenyl ester 
• 5715-02-6 2-acetoxybenzonitrile 
• 118134-07-9 ethyl 3-(o-acetoxyphenyl)isothiazole-4-carboxylate 
• 118134-17-1 ethyl 3-(o-acetoxyphenyl)isothiazole-5-carboxylate 
• 118134-04-6 dimethyl 3-(o-acetoxyphenyl)isothiazole-4,5-dicarboxylate 
• 100747-54-4 4-oxo-3-phenyl-4H-chromeno<4,3-c>isothiazole 

Relevant articles and documents

Nitrile Sulphides. Part 7. Synthesis of Benzopyranoisothiazoles and Isothiazoloquinolines

o-Hydroxybenzonitrile sulphide (1a), generated by thermal decarboxylation of the corresponding 1,3,4-oxathiazol-2-one, reacts with dimethyl acetylenedicarboxylate to afford methyl 4-oxo-4H-benzopyranoisothiazole-3-carboxylate (6a), from which the parent ring system (6c) can be prepared by hydrolysis and decarboxylation.The same products are formed from the acetoxy analogue (1b) via hydrolysis of isothiazole (5b). o-Acetamidobenzonitrile sulphide (1c) reacts similarly forming isothiazole (5c) and subsequently isothiazoloquinolin-4(5H)-one (7c) by hydrolysis, ring closure, and decarboxylation.Cycloadditions to ethyl cyanoformate, ethyl propiolate, and diethyl fumarate have also been examined.