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Chinese Journal of Organic Chemistry. 2008, (03) Core

Synthesis, Characterization and Quantum Chemistry Study on 3,6-Bis（1H-1,2,3,4-tetrazol-5-yl-amino）-1,2,4,5-tetrazineChinese Full Text

WANG, Bo-Zhou,a LAI, Wei-Penga LIU, Qiana LIAN, Penga XUE, Yong-Qiangb (a Xi′an Modern Chemistry Research Institute, Xi′an 710065) (b College of Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024)

Abstract: 3,6-Bis（1H-1,2,3,4-tetrazol-5-yl-amino）-1,2,4,5-tetrazine （BTATz） was synthesized by triamino- guanidinium nitrate with 2,4-pentanedione of condensation, followed by oxidation and substitution reaction. The product was characterized by elemental analysis, IR, NMR and DSC. Instead of nitrogen diox- ide/N-methylpyrrolidone, acetic acid/sodium nitrite was as oxidizer during the oxidation, thus the cost was reduced and the process was simplified. The theoretical properties of BTATz were estimated by... More
Keywords：

3,6-bis（1H-1,2,3,4-tetrazol-5-yl-amino）-1,2,4,5-tetrazine; synthesis; theoretical calculation; geometric configuration; thermodynamics property; pyrolysis mechanism;

  • Series：

    (B) Chemistry/ Metallurgy/ Environment/ Mine Industry

  • Subject：

    Chemistry; Organic Chemical Industry

  • Classification Code：

    O626

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