Synthesis and Structure of bis(cyclohexylmethyl) 3,6-bis(4-chlorophenyl)-1,2,4,5-tetrazine-1,2-dicarboxylate

Abstract

Bis(cyclohexylmethyl) 3,6-bis(4-chlorophenyl)-1,2,4,5-tetrazine-1,2-dicarboxylate was prepared from cyclohexylmethyl chloroformate and 3,6-bis(4-chlorophenyl)-1,2(or 1,4)-dihydro-1,2,4,5-tetrazine and its structure was determined by X-ray diffraction. This reaction yields the title compound rather than bis(cyclohexylmethyl) 3,6-bis(4-chlorophenyl)-1,2,4,5-tetrazine-1,4-dicarboxylate. The 2,3-diazabutadiene group in the central six-membered ring of tetrazine is not planar and the tetrazine ring has a twist conformation.