23384-65-8

Upstream product

• 4209-02-3 1-(4-bromophenyl)-2-chloroethan-1-one 
• 2492-26-4 sodium 2-mercaptobenzothiazole 
• 137-07-5 2-amino-benzenethiol 
• 149-30-4 2-Mercaptobenzothiazole 
• 99-73-0 para-bromophenacyl bromide 
• 108-86-1 bromobenzene 

Downstream Products

• 1241899-62-6 2-(benzo[d]thiazol-2-ylsulfonyl)-1-(4-bromophenyl)ethanone 
• 1428770-03-9 (4-bromo-phenyl)-(5-phenyl-2H-[1,2,3]triazol-4-yl)-methanone 
• 1338710-64-7 1,3-benzothiazol-2-yl [2-(4-bromophenyl)-4-phenyl-3-quinolyl]sulfide 

Relevant academic research and scientific papers

Developing a scaffold for urease inhibition based on benzothiazoles: Synthesis, docking analysis, and therapeutic potential

The synthesis, in silico molecular docking, and in vitro urease inhibition studies of a novel series of benzothiazole derivatives are reported. The title compounds in the two series, namely, 2-({5-[(benzothiazol-2-ylthio)methyl]-1,3,4-oxadiazol-2-yl}thio)-1-(4-substituted-phenyl)ethan-1-one and 2-(benzothiazol-2-ylthio)-1-(4-substituted-phenyl)ethan-1-one oxime, were synthesized by the reaction of benzo[d]thiazole-2-thiol with different kinds of intermediates in several steps using both conventional and microwave techniques. All compounds were found to have an excellent degree of urease-inhibitory potential ranging between 16.16 ± 0.54 and 105.32 ± 2.10 μM when compared with the standard inhibitor acetohydroxamic acid with IC50 = 320.70 ± 4.24 μM. The structure–activity relationship was established in detail. The binding interactions of the compounds with the enzyme were confirmed through molecular docking. Further, 100 -ns molecular dynamics simulations were performed to investigate the stability and structural perturbations experienced by the most potent compound over the urease active site.

Zinc oxide catalyzed solvent-free mechanochemical route for C-S bond construction: A sustainable process

A zinc oxide catalyzed solvent-free mechanochemical process has been developed for the rapid construction of C-S bonds by using a nucleophilic substitution reaction (SN2 mechanism) that involves a variety of thiols and phenacyl/ benzyl/alkyl bromides. Notable advantages of this method in-clude its broad substrate scope, clean reaction profile, safety, scalability, high product yields at ambient conditions, and the recyclability of the catalyst. Furthermore, the prepared compounds are valuable building blocks for the synthesis of various biologically active molecules.

One-pot, three-component reaction using modified Julia reagents: A facile synthesis of 4,5-disubstituted 1,2,3-(NH)-triazoles in a wet organic solvent

A new one-pot, three component reaction involving the use of Julia reagent, aldehyde, and sodium azide was developed for the efficient synthesis of N-unsubstituted 1,2,3-triazoles. This reaction could be carried out under mild reaction conditions without any precaution, and broad scope of substrates, both respect to Julia reagents and aldehydes, could be applied in this reaction system in generation of a small library of title compounds.

Synthesis of difluorinated β-ketosulfones and novel gem-difluoromethylsulfone-containing heterocycles as fluorinated building blocks

A series of new heterocyclic β-ketosulfides was prepared by the reaction of the corresponding heterocyclic thiols with α-bromoacetophenone and its derivatives. Oxidation of the products using m-CPBA gave the corresponding heterocyclic β-ketosulfones, whic