1,4-dibromo-1,1,4,4-tetra-tert-butyl-2,2,3,3-tetraphenyltetrasilane

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,4-dibromo-1,1,4,4-tetra-tert-butyl-2,2,3,3-tetraphenyltetrasilane
• 化学式: C₄₀H₅₆Br₂Si₄
• 分子量: 809.035
• InChiKey: TXEQNNWZXWYUDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.63
• 重原子数：
  46.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  1,4-dibromo-1,1,4,4-tetra-tert-butyl-2,2,3,3-tetraphenyltetrasilane 在 盐酸 、 aluminum (III) chloride 、 sodium 、 lithium 作用下， 以 四氢呋喃 、 水 、 甲苯 、 苯 为溶剂， 反应 10.5h， 生成 tris(1,1,3,3-tetra-tert-butyl-2,2-dimethyl-1,2,3-trisilacyclopenta)[1,2:3,4:5,6]hexasilabenzvalene
  参考文献：
  名称：

  Cyclopentasilane-Fused Hexasilabenzvalene

  摘要：

  Cyclopentasilane-fused hexasilabenzvalene 1 was synthesized by the reduction of tetrachlorocyclopentasilane 6 in 19% yield as a green powder. The molecular structure and properties of 1 were studied by spectroscopic and X-ray crystallographic analyses. Theoretical calculations of the model and real molecules of 1 and their structural isomers 12-16 suggest that the linkage of the central hexasilabenzvalene moiety with trisilane chains and the introduction of tert-butyl groups affect their relative energies.

  DOI：

  10.1021/ja409074m
• 作为产物：
  描述：

  2,2-di-tert-butyl-1-chloro-1,1-diphenyldisilane 在 溴 、 lithium 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 1,4-dibromo-1,1,4,4-tetra-tert-butyl-2,2,3,3-tetraphenyltetrasilane
  参考文献：
  名称：

  Cyclopentasilane-Fused Hexasilabenzvalene

  摘要：

  Cyclopentasilane-fused hexasilabenzvalene 1 was synthesized by the reduction of tetrachlorocyclopentasilane 6 in 19% yield as a green powder. The molecular structure and properties of 1 were studied by spectroscopic and X-ray crystallographic analyses. Theoretical calculations of the model and real molecules of 1 and their structural isomers 12-16 suggest that the linkage of the central hexasilabenzvalene moiety with trisilane chains and the introduction of tert-butyl groups affect their relative energies.

  DOI：

  10.1021/ja409074m

文献信息

• Tetrasilane-Bridged Bicyclo[4.1.0]heptasil-1(6)-ene
  作者：Akihiro Tsurusaki、Jun Kamiyama、Soichiro Kyushin

  DOI：10.1021/ja507279z

  日期：2014.9.17

  Tetrasilane-bridged bicyclo[4.1.0]heptasil-1(6)-ene 1 was synthesized by the reduction of 1,1,2,2-tetrachlorocyclohexasilane 2 in 12% yield as red-orange crystals. The structure and properties of 1 were studied by spectroscopy, X-ray crystallography, and theoretical calculations. The linkage of the cyclotrisilene moiety with two tetrasilane chains with tert-butyl groups remarkably affects its structure

  四硅烷桥联的双环 [4.1.0] 庚硅-1(6)-烯 1 是通过 1,1,2,2-四氯环己硅烷 2 的还原合成的，产率为 12%，为红橙色晶体。通过光谱学、X射线晶体学和理论计算研究了1的结构和性质。环三硅烷部分与两个带有叔丁基的四硅烷链的连接显着影响其结构和 (29) Si NMR 光谱。