chlorocyclopentasilane | 1379691-09-4

• 分子结构分类: 有机化合物 - 有机金属化合物
• 英文名称: chlorocyclopentasilane
• 英文别名: Chloropentasilolane
• CAS: 1379691-09-4
• 化学式: ClH₉Si₅
• 分子量: 184.952
• InChiKey: GSWWGUQRWFAIIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.62
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  盐酸 、 mesitylcyclopentasilane 以 正戊烷 为溶剂， 生成 cyclopentasilane 、 chlorocyclopentasilane
  参考文献：
  名称：

  Partial Halogenation of Cyclic and Branched Perhydropentasilanes

  摘要：

  The perhydropentasilanes (H3Si)(4)Si and Si5H10 were chlorinated with SnCl4 to give chlorohydropentasilanes without destruction of the Si-Si backbone. Tetrachloroneopentasilane (ClH2Si)(4)Si (2) was prepared in high yield from (H3Si)(4)Si and 3.5 equiv of SnCl4, while Si5H10 and an equimolar amount of SnCl4 afforded a mixture of similar to 60% of ClSi5H9 (1) with polychlorinated cyclopentasilanes and unreacted starting material, which could not be separated by distillation. The selective monochlorination of Si5H10 was achieved starting from MesSi(5)Cl(9) (3; Mes = 2,4,6-trimethylphenyl) or TBDMP-Si5Cl9 (4; TBDMP = 4-tert-butyl-2,6-dimethylphenyl). 3 or 4 was successfully hydrogenated with LiAlH4 to give MesSi(5)H(9) (6) or TBDMP-Si5H9 (7), which finally gave 1 along with aryl-H and Si5H10 after treatment with an excess of liquid anhydrous HCl. All compounds were characterized by standard spectroscopic techniques. For Si-H derivatives, the coupled Si-29 NMR spectra were analyzed in detail to obtain an unequivocal structural assignment. The molecular structures of 2-4 were further confirmed by X-ray crystallography.

  DOI：

  10.1021/ic300214y