Abstract: p-tert-Butylthiacalixarene(1) was alkylated with methyl iodide or dibromoalkane to obtain thiacalixarene intermediates 2 and 3 with the aid of potassium carbonate, respectively. A series of p-tert-butylthiacalixarene derivatives 5a—5d which append benzothiazol-2-ylthio groups at the lower rims were easily synthesized in good yields by the reaction of thiacalixarene intermediates 2 or 3 with 2-mercapto-benzothiazole in the presence of potassium carbonate. All the crystal novel compounds were characterized by 1H NMR, 13C NMR, IR, MS and elemental analysis. Meanwhile, the structure of thiacalixarene 5b was identified by X-ray diffraction analysis.

Key words: Thiacalixarene, 2-Mercapto-benzothiazole, Synthesis, Crystal structure