1,2-bis(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)-1,2-bis(2,4,6-trimethylphenyl)-disilene | 185910-18-3

• 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: 1,2-bis(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)-1,2-bis(2,4,6-trimethylphenyl)-disilene
• 英文别名: [2,4,6-tris[bis(trimethylsilyl)methyl]phenyl(mesityl)Si]2；Tbt(Mes)SiSi(Mes)Tbt；((mesityl)(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)Si)2；((2,4,6-tris(bis(trimethylsilyl)methyl)phenyl)(2,4,6-trimethylphenyl)Si))2；[[3,5-bis[bis(trimethylsilyl)methyl]-2-[(2,4,6-trimethylphenyl)-[(2,4,6-trimethylphenyl)-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silylidene]silyl]phenyl]-trimethylsilylmethyl]-trimethylsilane
• CAS: 185910-18-3
• 化学式: C₇₂H₁₄₀Si₁₄
• 分子量: 1399.1
• InChiKey: GQJRVCIBMLGKNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.56
• 重原子数：
  86.0
• 可旋转键数：
  22.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  1,2-bis(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)-1,2-bis(2,4,6-trimethylphenyl)-disilene 在 Bis(η-cyclopentadienyl)(pentaselenido)zirconium 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 20.0h， 以62%的产率得到(2,4,6-tris(bis(trimethylsilyl)methyl)phenyl)(2,4,6-trimethylphenyl)Si(SeH)(OH)
  参考文献：
  名称：

  过度拥挤的硅二氢古丁香酚的合成，结构及其在硅二氢古丁香醇络合物的合成中的应用

  摘要：

  过度拥挤的硅烷二氢丁香酚Tbt（Mes）Si（EH）（E'H），例如硅烷二硫醇（E = E'= S），羟基硅烷硫醇（E = O，E'= S）和羟基硅烷硒醇（E = O，E'= Se ），合成了具有空间保护基团Tbt和Mes（Tbt = 2,4,6-tris [双（三（三甲基甲硅烷基）甲基]苯基，Mes = 2,4,6-三甲基苯基）的有效组合-和湿气稳定的晶体，及其结构通过光谱和元素分析以及X射线晶体学分析得到充分表征。红外光谱和X射线结构分析的结果表明，这些化合物以单体形式存在，即使在固态和溶液中也没有任何氢键等分子内和分子间的相互作用。新型四元环化合物，例如Tbt（Mes）Si（μ-S）2PnBbt和[Tbt（Mes）Si（μ-E）（μ-E'）ML n ] [E，E'= O，S，Se; Pn = Sb，Bi; BBT = 2,6 -双[双（三甲基硅烷基）甲基] - 4 - [三（三甲基硅烷基）甲基]苯基;

  DOI：

  10.1016/j.jorganchem.2008.11.001

文献信息

• First Structural Characterization of Silanedithiol and Its Application toward the Synthesis of Silanedithiolato Complexes
  作者：Taro Tanabe、Nobuhiro Takeda、Norihiro Tokitoh

  DOI：10.1002/ejic.200601226

  日期：2007.3

  In this paper, we report the synthesis and the structural characterization of stable examples of silanedithiol [Tbt(Mes)Si(SH)2 (1)], hydroxysilanethiol [Tbt(Mes)Si(OH)(SH) (3)], and hydroxysilaneselenol [Tbt(Mes)Si(OH)(SeH) (7)], which are kinetically stabilized by an effective combination of steric protection groups, Tbt (2,4,6-tris[bis(trimethylsilyl)methyl]phenyl) and Mes (2,4,6-trimethylphenyl)

  在本文中，我们报告了硅烷二硫醇 [Tbt(Mes)Si(SH)2 (1)]、羟基硅烷硫醇 [Tbt(Mes)Si(OH)(SH) (3)] 的稳定实例的合成和结构表征，和羟基硅烷硒醇 [Tbt(Mes)Si(OH)(SeH) (7)]，它们通过空间保护基团 Tbt（2,4,6-三[双（三甲基甲硅烷基）甲基]苯基）的有效组合在动力学上稳定和 Mes (2,4,6-三甲基苯基)。根据 X 射线结构分析和红外光谱判断，硅烷二硫属素醇 1、3 和 7 作为单体存在，没有任何分子间接触，如固态和溶液中的氢键。用2当量治疗1。丁基锂导致定量形成相应的硅烷二硫醇二锂，Tbt(Mes)Si(SLi)2 (8)，其生成通过使用 MeI 的捕获实验得到证实。此外，将顺式-[MCl2(PPh3)2] (M = Pd, Pt) 添加到 8 的 THF 溶液中得到相应的硅烷二硫醇络合物，[Tbt(Mes)Si(μ-S)2M(PPh3)2]
• 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
• Unprecedented insertion reaction of a silylene into a B–B bond and generation of a novel borylsilyl anion by boron–metal exchange reaction of the resultant diborylsilane
  作者：Takashi Kajiwara、Nobuhiro Takeda、Takahiro Sasamori、Norihiro Tokitoh

  DOI：10.1039/b409575h

  日期：——

  diarylsilylene, Tbt(Mes)Si: (1, Tbt = 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl, Mes = mesityl), thermally generated from overcrowded disilene Tbt(Mes)Si=Si(Mes)Tbt (2) or stable silylene-isocyanide complex (3a), was found to insert into a B-B bond of bis(pinacolato)diboron, B2(pin)2 (4), and the boron-lithium exchange reaction of the resulting diborylsilane gave the first borylsilyl anion.

  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。
• Synthesis of Alkali Metal Salts of Borylsilyl Anions Utilizing Highly Crowded Silylboranes and Their Properties
  作者：Takashi Kajiwara、Nobuhiro Takeda、Takahiro Sasamori、Norihiro Tokitoh

  DOI：10.1021/om7008974

  日期：2008.3.1

  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.