66033-69-0

Basic information

• Product Name: 6-BROMO-3-METHYLBENZODISOXAZOLE
• Synonyms: 6-BROMO-3-METHYLBENZODISOXAZOLE;1,2-BENZISOXAZOLE, 6-BROMO-3-METHYL-;6-Bromo-3-methyl-1,2-benzisoxazole
• CAS NO: 66033-69-0
• Molecular Formula: C₈H₆BrNO
• Molecular Weight: 212.04
• Mol File: 66033-69-0.mol
• Article Data: 8

Chemical Properties

• Melting Point: 42-44 °C(Solv: ethanol (64-17-5))
• Boiling Point: 292.5°C at 760 mmHg
• Flash Point: 130.7°C
• Appearance: /
• Density: 1.606g/cm³
• Vapor Pressure: 0.00319mmHg at 25°C
• Refractive Index: 1.63
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -2.11±0.30(Predicted)
• CAS DataBase Reference: 6-BROMO-3-METHYLBENZODISOXAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-BROMO-3-METHYLBENZODISOXAZOLE(66033-69-0)
• EPA Substance Registry System: 6-BROMO-3-METHYLBENZODISOXAZOLE(66033-69-0)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 66033-69-0(Hazardous Substances Data)

Usage

General Description

6-Bromo-3-methylbenzodisoxazole is a chemical compound with the molecular formula C8H6BrNO2. It is a heterocyclic compound that contains both benzene and isoxazole rings, with a bromine atom and a methyl group attached to the benzene ring. 6-BROMO-3-METHYLBENZODISOXAZOLE is used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. It is also a useful building block for the preparation of various biologically active molecules. Additionally, it has been studied for its potential antimicrobial and antiparasitic properties, making it a valuable tool in the field of medicinal chemistry.

InChI:InChI=1/C8H6BrNO/c1-5-7-3-2-6(9)4-8(7)11-10-5/h2-4H,1H3

Upstream product

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Downstream Products

• 1095537-81-7 (1R,2R)-N-(1-cyanocyclopropyl)-2-((R)-2-methyl-4-(3-methylbenzo[d]isoxazol-6-yl)piperazine-1-carbonyl)cyclohexanecarboxamide 
• 1132943-26-0 N-(4-methoxybenzyl)-N-((6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]isoxazol-3-yl)methyl)methanesulfonamide 
• 1132936-31-2 N-((6-(3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)benzo[d]isoxazol-3-yl)methyl)methanesulfonamide 
• 651780-00-6 6-bromo-3-(bromomethyl)benzo[d]isoxazole 

Relevant articles and documents

Discovery of novel 3-{[(5,5-dimethyl-4,5-dihydroisoxazol-3-yl)sulfonyl]methyl}benzo[d]isoxazole analogs as promising very long chain fatty acids inhibitors

Very long chain fatty acids (VLCFAs) are one of the most principal and promising targets for herbicides discovery. In order to explore and find novel VLCFAs inhibitors with higher herbicidal activity and improved crop safety, a variety of new 3-{[(5,5-dimethyl-4,5-dihydroisoxazol-3-yl)sulfonyl]methyl}benzo[d]isoxazole derivatives were reasonably designed and synthesized. The results of greenhouse experiments indicated that several compounds exhibited good herbicidal activity against Digitaria sanguinalis, Echinochloa crus-galli, and Setaria faberii at rates of 150 g ai/ha. Compounds g4 and h1 displayed promising herbicidal activity against D sanguinalis and E crus-galli at rates of 75 g ai/ha, which is better than commercial pyroxasulfone and S-metolachlor. Moreover, compound h1 displayed higher activity against E crus-galli, D sanguinalis, and S faberii than pyroxasulfone and S-metolachlor even at a rate of 37.5 and 18.75 g ai/ha. Furthermore, both of the compounds g4 and h1 were much safer to these tested crops, especially to rice, wheat and rape, at the rate of 150 g ai/ha than pyroxasulfone. Therefore, h1 may act as a new lead structure for novel herbicides discovery.

Method of fluorination using iodonium ylides

A process for fluorination of aromatic compounds employing iodonium ylides and applicable to radiofluorination using 18F is described. Processes, intermediates, reagents and radiolabelled compounds are described.

2-Substituted-phenyl-oxy-5-methylsulfonyl piperazine acidamide analogue and preparation method and application thereof

The invention discloses 2-substituted-phenyl-oxy-5-methylsulfonyl piperazine acidamide analogue and a preparation method and application thereof, and particularly, relates to 2-substituted-phenyl-oxy-5-methylsulfonyl piperazine acidamide analogue with a formula (I) compound and a preparation method and application thereof, wherein substitutions in the formula (I) compound are defined as in the description. This serial compound can inhibit the activity of glycine transport protein-1 (GlyT1), is useful in treating related diseases in central nerve and psychological fields, for example, schizophrenia (including positive symptoms, negative symptoms and cognitive symptoms), senile dementia, Parkinson's disease and other related psychological diseases, is widely applicable to the drugs for preventing and treating central nerve and psychological diseases, and is expected to be developed into new-generation GlyT1 inhibitors.