1,4-bis(dimethylchlorosilylmethyl)-2,5-piperazinedione | 140870-70-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,4-bis(dimethylchlorosilylmethyl)-2,5-piperazinedione
• 英文别名: 1,4-Bis{[chloro(dimethyl)silyl]methyl}piperazine-2,5-dione；1,4-bis[[chloro(dimethyl)silyl]methyl]piperazine-2,5-dione
• CAS: 140870-70-8
• 化学式: C₁₀H₂₀Cl₂N₂O₂Si₂
• 分子量: 327.358
• InChiKey: FKGCFHWLLYSBDB-UHFFFAOYSA-N

物化性质

• 沸点：
  434.0±45.0 °C(Predicted)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.62
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4-bis(dimethylchlorosilylmethyl)-2,5-piperazinedione 在 碘代三甲硅烷 作用下， 以 乙腈 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Study of Binuclear Silicon Complexes of Diketopiperazine at S_N2 Reaction Profile

  摘要：

  A series of binuclear pentacoordinate silicon complexes of diketopiperazine have been synthesized and substituent (leaving group) effects on the Si-O bond coordination have been studied by comparison of the five differently substituted analogous structures (X = F, Cl, OTf, Br, and I). Variable-temperature NMR spectroscopy supported by X-ray crystallography shows, for the first time in binuclear pentacoordinate silicon complexes, a complex equilibrium with both nonionic (O-Si) and ionic (Si-X) dissociation of the axial bonds in the silicon-centered trigonal bipyramids. The two dissociation pathways are consistent with a model for nucleophilic substitution in a binuclear pentacoordinate silicon compound at the silicon atom.

  DOI：

  10.1021/om1009318
• 作为产物：
  描述：

  氯甲基二甲基氯硅烷 、 1,4-bis(trimethylsilyl)-2,5-piperazinedione 以 苯 为溶剂， 反应 3.0h， 以69%的产率得到1,4-bis(dimethylchlorosilylmethyl)-2,5-piperazinedione
  参考文献：
  名称：

  Shipov, A. G.; Artamkina, O. B.; Kramarova, E. P., Journal of general chemistry of the USSR, 1991, vol. 61, # 8.2, p. 1770 - 1771

  摘要：

  DOI：

文献信息

• Shipov, A. G.; Artamkina, O. B.; Kramarova, E. P., Journal of general chemistry of the USSR, 1991, vol. 61, # 8.2, p. 1770 - 1771
  作者：Shipov, A. G.、Artamkina, O. B.、Kramarova, E. P.、Oleneva, G. I.、Baukov, Yu. I.

  DOI：——

  日期：——
• Study of Binuclear Silicon Complexes of Diketopiperazine at S_N2 Reaction Profile
  作者：Sohail Muhammad、Alan R. Bassindale、Peter G. Taylor、Louise Male、Simon J. Coles、Michael B. Hursthouse

  DOI：10.1021/om1009318

  日期：2011.2.14

  A series of binuclear pentacoordinate silicon complexes of diketopiperazine have been synthesized and substituent (leaving group) effects on the Si-O bond coordination have been studied by comparison of the five differently substituted analogous structures (X = F, Cl, OTf, Br, and I). Variable-temperature NMR spectroscopy supported by X-ray crystallography shows, for the first time in binuclear pentacoordinate silicon complexes, a complex equilibrium with both nonionic (O-Si) and ionic (Si-X) dissociation of the axial bonds in the silicon-centered trigonal bipyramids. The two dissociation pathways are consistent with a model for nucleophilic substitution in a binuclear pentacoordinate silicon compound at the silicon atom.