((1,4-diisopropyl-2-methoxytetrasilane-1,1,4,4-tetrayl-3,3-d2)tetrakis(methanetriyl))octakis(trimethylsilane) | 1282539-37-0

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: ((1,4-diisopropyl-2-methoxytetrasilane-1,1,4,4-tetrayl-3,3-d2)tetrakis(methanetriyl))octakis(trimethylsilane)
• CAS: 1282539-37-0
• 化学式: C₃₅H₉₆OSi₁₂
• 分子量: 872.157
• InChiKey: JEWXOWPXJKYXIV-JOVDJNCMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.81
• 重原子数：
  48.0
• 可旋转键数：
  18.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-1,4-diisopropyltetrasila-2-yne 以 四氢呋喃 、 甲苯 为溶剂， 反应 6.0h， 生成 ((1,4-diisopropyl-2-methoxytetrasilane-1,1,4,4-tetrayl-3,3-d2)tetrakis(methanetriyl))octakis(trimethylsilane) 、 ((1,4-diisopropyl-2-methoxytetrasilane-1,1,4,4-tetrayl-2,3-d2)tetrakis(methanetriyl))octakis(trimethylsilane)
  参考文献：
  名称：

  Hydroboration of Disilyne RSi≡SiR (R = SiⁱPr[CH(SiMe₃)₂]₂), Giving Boryl-Substituted Disilenes

  摘要：

  The reaction of 1,1,4,4-tetralds[bis-(trimethylsilyl)methyl]-1,4-diisopropyltetrasila-2-yne (1) with hydroboranes afforded boryl-substituted disilenes R(R'B-2)Si=SiHR 3a and 3b (R = (SiPr)-Pr-i[CH(SiMe3)(2)](2), R'B-2 = 9-borabicyclo[3.3.1]nonan-9-yl (3a), catecholboryl (3b)). Spectroscopic and X-ray crystallographic analyses of 3a and 3b showed that 3a has a nearly coplanar arrangement of the Si=Si double bond and the boryl group, allowing pi-conjugation between them, whereas 3b, with a markedly twisted arrangement, exhibits no such conjugation. Theoretical calculations suggest that pi-conjugation between the pi-orbital of the Si=Si double bond and the vacant 2p-orbital on the boron atom is markedly influenced by the dihedral angle between the Si=Si double-bond plane and boryl group plane.

  DOI：

  10.1021/om200106h