(E)-1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-1,4-diisopropyl-2-(9-borabicyclo[3.3.1]nonan-9-yl)tetrasila-2-ene | 1205098-74-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 金属杂环化合物
• 英文名称: (E)-1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-1,4-diisopropyl-2-(9-borabicyclo[3.3.1]nonan-9-yl)tetrasila-2-ene
• 英文别名: 1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-1,4-diisopropyl-2-(9-borabicyclo[3.3.1]nonan-9-yl)tetrasila-2-ene；[[Bis[bis(trimethylsilyl)methyl]-propan-2-ylsilyl]-(9-borabicyclo[3.3.1]nonan-9-yl)silylidene]silyl-bis[bis(trimethylsilyl)methyl]-propan-2-ylsilane；[[bis[bis(trimethylsilyl)methyl]-propan-2-ylsilyl]-(9-borabicyclo[3.3.1]nonan-9-yl)silylidene]silyl-bis[bis(trimethylsilyl)methyl]-propan-2-ylsilane
• CAS: 1205098-74-3
• 化学式: C₄₂H₁₀₅BSi₁₂
• 分子量: 958.133
• InChiKey: CTGLVNWFCRSMPJ-JQOKOOLQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.89
• 重原子数：
  55
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  氘代甲醇-d 、 (E)-1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-1,4-diisopropyl-2-(9-borabicyclo[3.3.1]nonan-9-yl)tetrasila-2-ene 以 甲苯 为溶剂， 生成 8-甲氧基-9-硼杂双环[3.3.1]壬烷
  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
• 作为产物：
  描述：

  1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-1,4-diisopropyltetrasila-2-yne 、 9-硼双环[3.3.1]壬烷 以 四氢呋喃 为溶剂， 反应 4.0h， 以53%的产率得到(E)-1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-1,4-diisopropyl-2-(9-borabicyclo[3.3.1]nonan-9-yl)tetrasila-2-ene
  参考文献：
  名称：

  Addition of Amines and Hydroborane to the Disilyne RSi≡SiR (R = SiⁱPr[CH(SiMe₃)₂]₂) Giving Amino- and Boryl-Substituted Disilenes

  摘要：

  The reaction of 1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-1,4-diisopropyltetrasila-2-yne 1 with diethylamine or diphenylamine produced the corresponding amino-substituted disilenes R(R'N-2)Si=SiHR 2a, b (R = (SiPr)-Pr-i[CH(SiMe3)(2)](2), R' = Et (2a), Ph (2b)). The reaction of 1 with 9-borabicyclo[3.3.1]nonane afforded the boryl-substituted disilene R(R '' B-2)Si=SiHR 3 (R '' B-2 = 9-borabicyclo[3.3.1]nonan-9-yl). Spectroscopic and X-ray crystallographic analyses of 2a, b, and 3 showed that 2a and 3 have a coplanar arrangement of the Si=Si double bond and amino or boryl groups, giving pi-conjugation between the Si=Si double bond and the lone pair on the nitrogen atom or vacant orbital on the boron atom, whereas 2b exhibits no such conjugation.

  DOI：

  10.1021/ja910157h