Synthesis, Formation Mechanisms, and Molecular Dynamics Simulation of Novel Benzothiazole and Benzo[1,4]oxazin-3(4<i>H</i>)-one as Potential Acetylcholinesterase Inhibitors.

ABSTRACT: A novel series of benzothiazole derivatives was synthesized using straightforward and easily implementable procedures, achieving a high yield. Among these synthesized compounds, amino acids containing the benzothiazole moiety were successfully produced through an 8-step process, with yields reaching as high as 95%. Notably, a serendipitous compound containing both benzothiazole and benzo[1,4]oxazin-3(4H)-one moieties was also synthesized using the same protocol, bypassing purification at step 7 and proceeding directly to hydrolysis. This highlights the unique role of the coupling reagent HATU (hexafluorophosphate azabenzotriazole tetramethyluronium) in the reaction, as it facilitated high yields, reaching up to 90%. The structures of the newly synthesized compounds were confirmed th

SUBMITTER: Nguyen DD 

PROVIDER: S-EPMC11947844 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature