A Novel Synthetic Route, Crystal Structure and Thermal Behaviors for 1,3,5-Trinitro-hexahydro-1,3,5-triazin-2(1H)-one (Keto-RDX)

Chin. J. Org. Chem. ›› 2012, Vol. 32 ›› Issue (01): 75-80. Previous Articles Next Articles

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1,3,5-三硝基-六氢化-1,3,5-三嗪-2(1H)-酮(Keto-RDX)新法合成、晶体结构和热性能研究

周诚, 周彦水, 王伯周, 霍欢, 毕福强, 廉鹏, 樊学忠

西安近代化学研究所西安 710065

收稿日期:2011-05-24 修回日期:2011-09-01 发布日期:2011-09-28
通讯作者: 王伯周 E-mail:wbz600@163.com

A Novel Synthetic Route, Crystal Structure and Thermal Behaviors for 1,3,5-Trinitro-hexahydro-1,3,5-triazin-2(1H)-one (Keto-RDX)

Zhou Cheng, Zhou Yanshui, Wang Bozhou, Huo Huan, Bi Fuqiang, Lian Peng, Fan Xuezhong

Xi'an Modern Chemistry Research Institute, Xi'an 710065

Received:2011-05-24 Revised:2011-09-01 Published:2011-09-28

1,3,5-Trinitro-hexahydro-1,3,5-triazin-2(1H)-one (Keto-RDX) was synthesized by a novel route of Mannich reaction and nitration reaction for nitroguanidine and urotropine, which were used as starting materials, with a yield of 72.0% and a purity of 98.5%. The structures of Keto-RDX were characterized by ¹H NMR, ¹³C NMR, FT-IR, MS techniques and elemental analysis. It was found that Keto-RDX belongs to orthorhombic system with space group Pnma, and the crystal parameters were a＝1.0057(17) nm, b＝1.3483(2) nm, c＝0.5982(10) nm, V＝0.8112(2) nm³, Z＝4, D_c＝1.933 g/cm³, μ＝0.188 mm^-1, F(000)＝480. The thermal decomposition behavior of Keto-RDX was studied by DSC and TG/DTG techniques. The results showed that there was a single sharp exothermic decomposition with peak maximum at 211.4 ℃ (DSC)，and the thermal decomposition processes can be divided into two stages.

Key words: 1,3,5-trinitro-hexahydro-1,3,5-triazin-2(1H)-one, synthesis, thermal behavior

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Zhou Cheng, Zhou Yanshui, Wang Bozhou, Huo Huan, Bi Fuqiang, Lian Peng, Fan Xuezhong . A Novel Synthetic Route, Crystal Structure and Thermal Behaviors for 1,3,5-Trinitro-hexahydro-1,3,5-triazin-2(1H)-one (Keto-RDX)[J]. Chin. J. Org. Chem., 2012, 32(01): 75-80.

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1,3,5-三硝基-六氢化-1,3,5-三嗪-2(1H)-酮(Keto-RDX)新法合成、晶体结构和热性能研究

A Novel Synthetic Route, Crystal Structure and Thermal Behaviors for 1,3,5-Trinitro-hexahydro-1,3,5-triazin-2(1H)-one (Keto-RDX)

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