| 1243214-03-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1243214-03-0
• 化学式: C₅₈H₆₆N₄O₄Si₂
• 分子量: 939.357
• InChiKey: FJTPAIBEXRTRCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.73
• 重原子数：
  68.0
• 可旋转键数：
  7.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  49.42
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  [{PhC(NtBu)2}Si:]2 、 联苯甲酰 以 甲苯 为溶剂， 以38.9%的产率得到
  参考文献：
  名称：

  Reactions of a Bis-silylene (LSi−SiL, L = PhC(NtBu)₂) and a Heteroleptic Chloro Silylene (LSiCl) with Benzil: Formation of Bis(siladioxolene) and Monosiladioxolene Analogue with Five-Coordinate Silicon Atoms in Both Ring Systems

  摘要：

  LSi-SiL (L = PhC(NtBu)(2)) (4) was reacted with benzil in toluene at room temperature to afford a compound that contains two siladioxolene rings connected by a Si Si bond. This is the first reactivity study of 4 where the central Si Si bond was not cleaved during the reaction. Furthermore, LSiCl (L = PhC(NtBu)(2)) (6) was treated with benzil at ambient temperature in toluene to yield 2,5-dioxal -silacyclopent-3-ene (7). Both 5 and 7 were characterized by single-crystal X-ray diffraction and additionally by NMR spectroscopy, El-MS spectrometry, and elemental analysis. Investigation of the molecular structure shows that the Si Si bond length in 5 is 2.36 angstrom, which is more than 2% shorter than the Si Si bond length in 4. The formal oxidation state of silicon in 5 is +3, which is in agreement with its structure. The existence of 5 and 7 as stable compounds indicates that siladioxolenes can be electronically stabilized by sigma-donor ligands.

  DOI：

  10.1021/om100581u