The Crystal Structure and Synthesis Mechanism of 3,6-Bis(3,5-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine (BDT): A Key Precursor of S-tetrazine.

The single crystal structure of 1,1′-bis (3,5-dimethyl-pyrazole) methenehydrazine (BDM) was determined by X-ray single crystal diffraction for the first time. The obtained experimental results indicated that BDM was the of 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine (BDT), which was the key precursor of s-tetrazine. By this evidence, the preparation mechanism of BDT was proved: At 318.15 K, triaminoguanidine and pentanedione reacted to achieve the (BDM) by molecular and ; when heated to 363.15 K, BDT was then generated by two molecules of BDM with reaction. Furthermore, the properties and also the non-isothermal kinetic parameters have been investigated in the present work. [ABSTRACT FROM AUTHOR]