Jianguo Zhang, Jinting Wu, M. Sun
Aug 1, 2014
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Journal
Journal of Heterocyclic Chemistry
Abstract
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 intermediate 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 intermediate (BDM) by molecular nucleophilic addition and intramolecular nucleophilic substitution; when heated to 363.15 K, BDT was then generated by two molecules of BDM with nucleophilic substitution reaction. Furthermore, the thermal decomposition properties and also the non-isothermal kinetic parameters have been investigated in the present work.