(S)-3-((5,7-bis(bis(trimethylsilyl)methyl)-1-mesityl-3,3-bis(trimethylsilyl)-1,3-dihydro-2H-benzo[d][1,2]silaborol-2-yl)oxy)-2,3-dimethylbutan-2-ol | 1013399-78-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (S)-3-((5,7-bis(bis(trimethylsilyl)methyl)-1-mesityl-3,3-bis(trimethylsilyl)-1,3-dihydro-2H-benzo[d][1,2]silaborol-2-yl)oxy)-2,3-dimethylbutan-2-ol
• CAS: 1013399-78-4
• 化学式: C₄₂H₈₃BO₂Si₇
• 分子量: 827.529
• InChiKey: OKDWWBLHBFZMHO-DXQCBLCSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.81
• 重原子数：
  52.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  氘代甲醇-d 、 (S)-3-((5,7-bis(bis(trimethylsilyl)methyl)-1-mesityl-3,3-bis(trimethylsilyl)-1,3-dihydro-2H-benzo[d][1,2]silaborol-2-yl)oxy)-2,3-dimethylbutan-2-ol 在 KH 作用下， 以 四氢呋喃 为溶剂， 以37%的产率得到(R)-((4-(mesitylsilyl-d)-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：

  (mesityl)(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)Si(B(pinacolato))2 在 MeLi 、 (MeO)2SO₂ 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 以74%的产率得到(S)-3-((5,7-bis(bis(trimethylsilyl)methyl)-1-mesityl-3,3-bis(trimethylsilyl)-1,3-dihydro-2H-benzo[d][1,2]silaborol-2-yl)oxy)-2,3-dimethylbutan-2-ol
  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