82152-06-5

Basic information

• Product Name: 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetic acid
• Synonyms: 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetic acid;2-(3-keto-1,2-benzothiazol-2-yl)acetic acid;2-(3-oxo-1,2-benzothiazol-2-yl)acetic acid;2-(3-oxo-1,2-benzothiazol-2-yl)ethanoic acid;2-(3-Oxo-3h-benzo[d]isothiazol-2-yl)-acetic acid
• CAS NO: 82152-06-5
• Molecular Formula: C₉H₇NO₃S
• Molecular Weight: 209.22178
• EINECS: -0
• Mol File: 82152-06-5.mol
• Article Data: 16

Chemical Properties

• Melting Point: 240-242 °C(Solv: water (7732-18-5))
• Boiling Point: 444.9±47.0 °C(Predicted)
• Appearance: /
• Density: 1.518±0.06 g/cm3(Predicted)
• PKA: 3.61±0.10(Predicted)
• CAS DataBase Reference: 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetic acid(82152-06-5)
• EPA Substance Registry System: 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetic acid(82152-06-5)

Safety Data

• Hazardous Substances Data: 82152-06-5(Hazardous Substances Data)

Usage

Description

2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetic acid is a chemical compound with the molecular formula C10H7NO4S. It is an organic compound that belongs to the class of benzothiazole derivatives. 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetic acid is characterized by its unique structure and properties, making it a valuable component in the development of new drugs and compounds for various applications.

Uses

Used in Pharmaceutical Synthesis:
2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetic acid is used as a key intermediate in the synthesis of pharmaceuticals. Its potential biological activity and role in various biological processes make it a promising candidate for the development of new drugs and compounds.
Used in Agrochemical Synthesis:
In the agrochemical industry, 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetic acid is utilized as a building block in the synthesis of agrochemicals. Its unique structure and properties contribute to the development of effective and innovative products for agricultural applications.
Used in Organic Synthesis and Chemical Research:
2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetic acid is also employed as a building block in organic synthesis and chemical research. Its versatile structure allows for the creation of a wide range of compounds with various applications in different industries.

Upstream product

• 2634-33-5 1,2-benzisothiazolin-3-one 
• 79-11-8 chloroacetic acid 
• 1344678-67-6 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetic acid tert-butyl ester 
• 119-80-2 2,2'-dithiobenzoic acid 
• 4299-16-5 (1,2-Benzisothiazolin-3-on-2-yl)essigsaeureethylester 
• 3950-02-5 2-chlorosulfenylbenzoyl chloride 
• 56-40-6 glycine 
• 19602-82-5 2,2'-dithiodibenzoic acid dichloride 
• 58249-25-5 sale sodico del 1,2-benzisotiazolin-3-one 
• 22219-02-9 2,2'-thiodibenzoic acid 

Downstream Products

• 1344678-65-4 (S)-2-(3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(1-phenylethyl)acetamide 
• 1344678-66-5 (R)-2-(3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(1-phenylethyl)acetamide 
• 1344678-63-2 N-benzyl-N-ethyl-2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide 
• 902839-50-3 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenethylacetamide 
• 876941-05-8 N-(4-methoxybenzyl)-2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide 
• 1344678-60-9 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamide 
• 1220637-44-4 N-benzyl-N-methyl-2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide 
• 878082-31-6 methyl 2-(2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetamido)benzoate 
• 902839-54-7 N-(4-fluorobenzyl)-2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide 
• 1344678-62-1 N-methyl-2-(3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamide 
• 876910-77-9 N-benzyl-2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide 
• 1609552-00-2 2-(3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(5-phenyl-1,3,4-thiadiazole-2-yl)acetamide 
• 1609552-01-3 2-(3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(5-(m-tolyl)-1,3,4-thiadiazole-2-yl)acetamide 
• 1609552-03-5 N-(5-(4-methoxyphenyl)-1,3,4-thiadiazole-2-yl)-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)acetamide 

Relevant articles and documents

Synthesis and antimicrobial activity of novel benzisothiazolin-3-one acetamide derivatives

A series of novel 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)-N-substituted phenylacetamide (4a-4e) have been synthesized from benzo [d]isothiazol-3(2H)-one (BIT) and substituted aniline. These benzisothiazolin-3-one acetamide derivatives (4a-4e) were identified by IR, 1H NMR and elemental analyses. Their antimicrobial activities were also evaluated.

Benzo[d]isothiazole-3-(2H)-one derivative, preparation method and application thereof

The invention relates to a benzo[d]isothiazole-3-(2H)-one derivative, a preparation method and application of the benzo[d]isothiazole-3-(2H)-one derivative. The compound is a free alkali or salt of acompound with a structure shown in a general formula (I). The salt is one of hydrochloride, hydrobromide, sulfate, trifluoroacetate, tartrate, lactate or mesylate; R1 independently represents "-CH2-CO-" or "-CH2-CH2-"; R2 independently represents "-CH2-CH2-O-" or "-CO-CH=CH-"; R3 independently represents hydrogen, halogens, a hydrocarbon group, a halogen-substituted hydrocarbon group, a nitro group, an amino group, a nitrile group, a hydroxyl group, an alkoxy group, an aryloxy group, a heterocycloalkoxy group, an aryl group, a substituted heterocyclic ring or a substituted aryl group. The invention also provides an application of the benzo[d]isothiazole-3-(2H)-one derivative in preparation of ischemic stroke treatment medicines.

Evaluation of substituted ebselen derivatives as potential trypanocidal agents

Human African trypanosomiasis is a disease of sub-Saharan Africa, where millions are at risk for the illness. The disease, commonly referred to as African sleeping sickness, is caused by an infection by the eukaryotic pathogen, Trypanosoma brucei. Previously, a target-based high throughput screen revealed ebselen (EbSe), and its sulfur analog, EbS, to be potent in vitro inhibitors of the T. brucei hexokinase 1 (TbHK1). These molecules also exhibited potent trypanocidal activity in vivo. In this manuscript, we synthesized a series of sixteen EbSe and EbS derivatives bearing electron-withdrawing carboxylic acid and methyl ester functional groups, and evaluated the influence of these substituents on the biological efficacy of the parent scaffold. With the exception of one methyl ester derivative, these modifications ablated or blunted the potent TbHK1 inhibition of the parent scaffold. Nonetheless, a few of the methyl ester derivatives still exhibited trypanocidal effects with single-digit micromolar or high nanomolar EC50values.