(mesityl)(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)Si(B(pinacolato))2 | 796870-05-8

• 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: (mesityl)(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)Si(B(pinacolato))2
• 英文别名: SiB2pin2；bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-(2,4,6-trimethylphenyl)-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane
• CAS: 796870-05-8
• 化学式: C₄₈H₉₄B₂O₄Si₇
• 分子量: 953.492
• InChiKey: IUGFOOWQUAXBJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.03
• 重原子数：
  61
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (mesityl)(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)Si(B(pinacolato))2 在 n-BuLi 、 Na*K 作用下， 以 乙醚 、 正己烷 为溶剂， 生成 ((4-(mesitylsilyl)-5-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bis(trimethylsilyl)methyl)-1,3-phenylene)bis(methanetriyl))tetrakis(trimethylsilane)
  参考文献：
  名称：

  Synthesis of Alkali Metal Salts of Borylsilyl Anions Utilizing Highly Crowded Silylboranes and Their Properties

  摘要：

  The lithium salt of a borylsilyl anion, [Tbt(Mes)SiBpin](-)Li(+) (11: Tbt = 2,4,6-tris[bis(trimethylsilyl)-methyl]phenyl, Mes = mesityl, pin = pinacolato), was synthesized by the boron-metal exchange reaction of a diborylsilane, Tbt(Mes)Si(Bpin)(2) (8), which was synthesized by the insertion of a highly crowded diarylsilylene, Tbt(Mes)Si: (1), into the B-B bond of a diborane(4) compound, B(2)pin(2). Although a salt of the borylsilyl anion 11 could not be isolated due to its thermal instability, the investigation of the reactivity of the anion revealed that 11 is a possible precursor for Si-functionalized silylboranes as well as Si,Si-difunctionalized silanes. Furthermore, the borylsilyl anion [Tbt(Mes)SiB Scat](-) (27: Scat = dithiocatecholato), which was synthesized by a procedure similar to that used for 11, showed a reactivity different from that of 11. Theoretical calculations for the borylsilyl anions revealed that the anion 27 has a boratasilene character; namely, the Si-B bond has a double-bond character due to the donation of an electron pair of the negatively charged silicon atom into the vacant p-orbital of the adjacent boron atom.

  DOI：

  10.1021/om7008974
• 作为产物：
  描述：

  联硼酸频那醇酯 、 反应 72.0h， 以12%的产率得到(mesityl)(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)Si(B(pinacolato))2
  参考文献：
  名称：

  通过所得二硼烷基硅烷的硼-金属交换反应，使亚甲硅烷前所未有地插入BB键中，并产生新的硼烷基甲硅烷基阴离子。

  摘要：

  动力学稳定的二芳基亚甲硅烷基Tbt（Mes）Si：（1，Tbt = 2,4,6-三[双（三（三甲基甲硅烷基）甲基]苯基，Mes =异丁烯基]），是由拥挤的二甲苯Tbt（Mes）Si = Si（发现Mes）Tbt（2）或稳定的甲硅烷基-异氰化物络合物（3a）插入双（频哪醇）二硼的BB键，B2（pin）2（4）以及由此产生的硼-锂交换反应用二硼烷基硅烷得到第一硼硅烷基阴离子。

  DOI：

  10.1039/b409575h