2,4,6-tris[bis(trimethylsilyl)methyl]phenyl(mesityl)chlorosilylpinacolborane | 781640-95-7

• 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: 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl(mesityl)chlorosilylpinacolborane
• 英文别名: (mesityl)(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)Si(B(pinacolato))Cl；[[3,5-Bis[bis(trimethylsilyl)methyl]-2-[chloro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-(2,4,6-trimethylphenyl)silyl]phenyl]-trimethylsilylmethyl]-trimethylsilane
• CAS: 781640-95-7
• 化学式: C₄₂H₈₂BClO₂Si₇
• 分子量: 861.974
• InChiKey: UNVARLZOHROBQT-DTSDQNDWSA-N

物化性质

• 沸点：
  660.8±65.0 °C(Predicted)
• 密度：
  0.94±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12.6
• 重原子数：
  53
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲醇 、 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl(mesityl)chlorosilylpinacolborane 在 Na*K 作用下， 以 乙醚 为溶剂， 以81%的产率得到((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：

  2,4,6-tris[bis(trimethylsilyl)methyl]phenyl(mesityl)SiCN(2,4,6-tri-tert-butylphenyl) 在 n-BuLi 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl(mesityl)chlorosilylpinacolborane
  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

文献信息

• Insertion of an Overcrowded Silylene into Hydro- and Haloboranes:  A Novel Synthesis of Silylborane Derivatives and Their Properties
  作者：Takashi Kajiwara、Nobuhiro Takeda、Takahiro Sasamori、Norihiro Tokitoh

  DOI：10.1021/om049558w

  日期：2004.9.1

  Silylene complex 3a reacted with BH3·PPh3 as well to give the corresponding silylborane-phosphine complex Tbt(Mes)SiHBH2·PPh3 (12). In addition, silylene 2 thermally generated from the corresponding disilene, Tbt(Mes)SiSi(Mes)Tbt (1), gave 12 when reacted with BH3·PPh3. These results strongly suggested that the reactions of 3 with BH3·THF and BH3·PPh3 proceeded via insertion of a silylene, Tbt(Mes)Si: 

  稳定的甲硅烷基-异氰化物配合物TBT（MES）SiCNAr（3a，Ar = MES *; 3b，Ar = TBT; 3c，Ar = Tip; TBT = 2,4,6-tris [双（三（三甲基甲硅烷基）甲基]苯基， MES =三甲苯基，MES * = 2,4,6-三-叔丁基苯基，提示= 2,4,6-三异丙基）与硼化合物进行了研究。的反应图3a，b与BH 3 ·THF，得到第一稳定silylborane-胩络合物，TBT（MES）SiHBH 2 ·CNAR（图4a，b）。亚甲硅烷基络合物3a与BH 3 ·PPh 3反应还得到相应的甲硅烷基硼烷-膦配合物TBT（MES）SiHBH 2 ·PPh 3（12）。此外，当与BH 3 ·PPh 3反应时，由相应的二甲苯TBT（MES）Si Si（MES）TBT（1）热生成的亚甲硅2生成12。这些结果有力地表明3与BH 3 ·THF和BH 3 ·PPh