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有机化学
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有机化学 ›› 2005, Vol. 25 ›› Issue (10): 1259-1264. 上一篇    下一篇

研究简报

三乙酰基三苄基六氮杂异伍兹烷(TATBIW•0.5H2O)的合成及晶体结构

韩卫荣*,1,2，欧育湘1，刘进全1，陈博仁1   

  1. (1北京理工大学材料科学与工程学院 北京 100081)
  • 收稿日期:2004-09-20 修回日期:2005-04-11 发布日期:2005-10-08
  • 通讯作者: 韩卫荣

Synthesis and Crystal Structure of Triacetyltribenzyl-hexaazaisowurtzitane (TATBIW•0.5 H2O)

HAN Wei-Rong*,1,2,OU Yu-Xiang1,LIU Jin-Quan1,CHEN Bo-Ren1   

  1. (1 School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081)
  • Received:2004-09-20 Revised:2005-04-11 Published:2005-10-08
  • Contact: HAN Wei-Rong

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通过控制六苄基六氮杂异伍兹烷(HBIW)的氢解程度, 成功制备了其氢解反应过程中一个重要的中间体三乙酰基三苄基六氮杂异伍兹烷(TATBIW), 并对其单晶结构(TATBIW•0.5H2O)进行了测定, 它属三斜晶系, 空间群为P-1, a＝0.9893(2) nm, b＝1.2624(3) nm, c＝1.3396(3) nm; V＝1.5963(6) nm3, Z＝2, Dc＝1.194 g•cm3, 该化合物的单晶数据未见文献报道. TATBIW的制备有助于我们进一步了解HBIW的氢解反应机理, 提高氢解产品得率.

关键词: 三乙酰基三苄基六氮杂异伍兹烷, 氢解, 合成, 晶体结构

The title compound was synthesized by controlling the volumes of hydrogen consumed in the hydrogenolysis of hexabenzylhexaazaisowurtzitane (HBIW). The crystal and molecular structure of TAT-BIW•0.5H2O was also described. Its crystal belongs to the triclinic system with space group P-1 and parameters: a＝0.9893(2) nm, b＝1.2624(3) nm, c＝1.3396(3) nm, V＝1.5963(6) nm3, Z＝2, Dc＝1.194 g•cm3. The success of synthesizing TATBIW will be helped to study the mechanism of the reduction of HBIW and improve the high yields of the final product.

Key words: triacetyltribenzylhexaazaisowurtzitane, crystal structure, synthesis, mechanism