399-73-5

Basic information

• Product Name: Benzothiazole, 6-fluoro-2-methyl- (7CI,8CI,9CI)
• Synonyms: Benzothiazole, 6-fluoro-2-methyl- (7CI,8CI,9CI);Benzothiazole, 6-fluoro-2-Methyl-;6-Fluoro-2-Methylbenzo[d]thiazole
• CAS NO: 399-73-5
• Molecular Formula: C₈H₆FNS
• Molecular Weight: 167.2033432
• Product Categories: BENZOTHIAZOLE
• Mol File: 399-73-5.mol
• Article Data: 7

Chemical Properties

• Melting Point: 112-114 °C
• Boiling Point: 243.013°C at 760 mmHg
• Flash Point: 100.771°C
• Appearance: /
• Density: 1.319g/cm³
• Vapor Pressure: 0.051mmHg at 25°C
• Refractive Index: 1.635
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 1.48±0.10(Predicted)
• CAS DataBase Reference: Benzothiazole, 6-fluoro-2-methyl- (7CI,8CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzothiazole, 6-fluoro-2-methyl- (7CI,8CI,9CI)(399-73-5)
• EPA Substance Registry System: Benzothiazole, 6-fluoro-2-methyl- (7CI,8CI,9CI)(399-73-5)

Safety Data

• Hazardous Substances Data: 399-73-5(Hazardous Substances Data)

Usage

General Description

Benzothiazole, 6-fluoro-2-methyl- (7CI,8CI,9CI) is a chemical compound with the molecular formula C8H6FNS. It is a derivative of benzothiazole, which is a heterocyclic aromatic organic compound. The 6-fluoro-2-methyl substitution on the benzothiazole ring gives this compound unique properties and potential applications. Benzothiazole derivatives have been studied for their various biological activities, including their potential as anti-cancer, anti-inflammatory, and anti-microbial agents. The substitution of the benzothiazole ring with a fluoro and methyl group could further enhance or modify these biological activities, making it a potential candidate for further research and development in the pharmaceutical and chemical industries.

InChI:InChI=1/C8H6FNS/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3

Upstream product

• 1009-22-9 N-(2-bromo-4-fluorophenyl)acetamide 
• 371-40-4 4-fluoroaniline 
• 29654-01-1 N-(2-iodo-4-fluorophenyl)acetamide 
• 351-83-7 4'-fluoroacetanilide 
• 399-36-0 N-(2,4-difluoro-phenyl)-acetamide 
• 367-25-9 2,4-difluorophenylamine 
• 141-82-2 malonic acid 
• 1544-68-9 4-fluorophenyl isothiocyanate 
• 351-84-8 N-(4-fluorophenyl)ethanethioamide 

Downstream Products

• 933749-06-5 6-fluorobenzo[d]thiazole-2-carbaldehyde 
• 157764-07-3 2-(6-fluorobenzo[d]thiazol-2-yl)acetonitrile 
• 33264-82-3 5-fluoro-2-aminobenzenethiol 

Relevant articles and documents

Recyclable copper-catalyzed cyclization of o-haloanilides and metal sulfides: An efficient and practical access to substituted benzothiazoles

An efficient heterogeneous copper-catalyzed cyclization of o-haloanilides and metal sulfides has been achieved via the C–S coupling in DMF at 80 or 140 °C in the existence of an MCM-41-bound NHC-Cu(I) catalyst and then intramolecular condensation, delivering a wide range of substituted benzothiazoles in mostly good to high yields. This new MCM-41-NHC-CuI complex can facilely be obtained by a two-step procedure starting from easily accessible and inexpensive reagents and reused more than seven times without any significant loss of its catalytic efficiency. The present protocol has been successfully applied to the gram-scale synthesis of two antitumor agents 5F203 and PMX 610.

Di- tert-butyl Peroxide-Mediated Radical C(sp2/sp3)-S Bond Cleavage and Group-Transfer Cyclization

A novel strategy of cascade radical C(sp2/sp3)-S bond cleavage and group-transfer cyclization is disclosed. Triggered by alkyl radicals, varieties of 2-isocyanoaryl thioethers containing aliphatic, aryl, and heteroaromatic groups can be cleaved and precisely reinstalled to give benzothiazole derivatives. Mechanistic studies reveal that the cascade reaction undertakes an intermolecular pathway, and the inner radical sources (R radicals) exhibit high priority over those of methyl radical origin from di-tert-butyl peroxide.

Efficient and economical access to substituted benzothiazoles: Copper-catalyzed coupling of 2-haloanilides with metal sulfides and subsequent condensation

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