Tris[[hydroxy(diphenyl)silyl]oxy]-phenylsilane | 19126-89-7

• 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: Tris[[hydroxy(diphenyl)silyl]oxy]-phenylsilane
• 英文别名: tris[[hydroxy(diphenyl)silyl]oxy]-phenylsilane
• CAS: 19126-89-7
• 化学式: C₄₂H₃₈O₆Si₄
• 分子量: 751.102
• InChiKey: RLGVIQDZLDQDNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.63
• 重原子数：
  52
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.4
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Tris[[hydroxy(diphenyl)silyl]oxy]-phenylsilane 、 copper(ll) bromide 在 正丁基锂 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 3.0h， 以76%的产率得到[(PhSi(OSiPh2OH)3(3H-))2Cu₂][Li((tetrahydrofuran)₂)]₂
  参考文献：
  名称：

  A Tripodal Trisilanol Ligand and Its Complexation Behavior towards Cu ^I , Cu ^II , and Zn ^II

  摘要：

  AbstractA three‐step synthetic route for a new tripodal branched trisilanol ligand PhSi(OSiPh2OH)3 (LH3) was developed. X‐ray diffraction analysis revealed that the trisilanol crystallizes as a dimer with a cyclic hydrogen‐bonding network. The reaction of LH3 with three equivalents of CunMesn (Mes = mesityl) led to a hexanuclear compound [L2Cu6] (1), which was characterized by single‐crystal X‐ray diffraction analysis as well as by solution NMR spectroscopy. The crystal structure of 1 revealed that the compound features a hexagonal planar CuI6 ring, which is the first of its kind in an oxygen environment. Deprotonation of the ligand with n‐butyllithium and subsequent reaction with CuBr2 resulted in the dinuclear CuII complex [L′2Cu2][Li(THF2)]2 (2, THF = tetrahydrofuran), which contains a new siloxide ligand formed from L3– by the elimination of a SiOPh2 unit, as evidenced by X‐ray diffraction analysis. To check if the “Ph2SiO” elimination is a general behavior of this trisilanol, the reaction with ZnBr2 was investigated under analogous conditions. However, this led to the isolation of [L2Zn2][Li(OEt)]2 (3) without any rearrangement of the siloxide ligand.

  DOI：

  10.1002/ejic.201400088
• 作为产物：
  描述：

  在 palladium 10% on activated carbon 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 Tris[[hydroxy(diphenyl)silyl]oxy]-phenylsilane
  参考文献：
  名称：

  在铝（III）-水系统的形态形成过程中用三硅烷醇捕获氢氧化铝簇：可重现的大规模访问分子铝酸盐模型

  摘要：

  为了从分子水平上了解扩展氧化物/氢氧化物某些功能和单元的性质，需要合适的分子模型化合物。作为获取此类化合物的一种有吸引力的途径，可以想到在适当的前体化合物水解过程中借助稳定的配体捕获早期中间体的方法，该方法已针对铝（III）/水系统进行了测试。事实上，trisilanols证明合适的捕获试剂：Al的水解过程中它们的存在我卜2中的水的量依赖H被允许用于三-和octanuclear氢氧化铝簇配合物[Al的隔离3（μ 2 -OH）3（THF）3（PhSi（OSiPh 2O）3）2 ]（1）和[铝8（μ 3 -OH）2（μ 2 -OH）10（THF）3（对- anisylSi（OSiPh 2 O）3）4 ]（2）。1可以看作是Al（OH）3环状三聚体，其中六个质子已被甲硅烷基残基取代。而2采用了独特的[铝8（μ 3 -OH）2（μ 2 -OH）10 ] 12+核。与大多数这种类型的其他已知聚集体相

  DOI：

  10.1002/anie.201604305

文献信息

• Dioxygen Activation by Siloxide Complexes of Chromium(II) and Chromium(IV)
  作者：Fabian Schax、Eckhard Bill、Christian Herwig、Christian Limberg

  DOI：10.1002/anie.201406313

  日期：2014.11.17

  The reaction of a tripodal trisilanol with n‐butyllithium and CrCl2 results in a dinuclear CrII complex (1), which is capable of cleaving O2 to yield in a unique complex (2) with an asymmetric diamond core composed of two CrIVO units. Magnetic susceptibility data reveal significant exchange coupling of CrII (S=2) in 1 and large zero‐field splitting for CrIV (S=1) in 2 owing to strong spin–orbit coupling

  三脚架三硅烷醇与正丁基锂和CrCl 2的反应生成双核Cr II配合物（1），该配合物能够裂解O 2生成独特的配合物（2），该配合物具有由两个Cr IV组成的不对称金刚石核O单位。磁化率数据表明，由于基态的强自旋轨道耦合，Cr II（S = 2）在1中有显着的交换耦合，Cr IV（S = 1）在2中有大的零场分裂。四价铬PhO化合物也可以使用PhIO生成，并且收集到的证据表明，尽管它是经过过量O 2处理后分离出的稳定产物，但它进一步活化O 2产生了一种可氧化THF或Me-THF的中间物种。通过广泛的18 O标记研究，我们能够证明，在此过程中18 O 2通过末端氧化配体将其标记与配体的氧化硅O原子交换。
• A Tripodal Trisilanol Ligand and Its Complexation Behavior towards Cu ^I , Cu ^II , and Zn ^II
  作者：Fabian Schax、Beatrice Braun、Christian Limberg

  DOI：10.1002/ejic.201400088

  日期：2014.4

  AbstractA three‐step synthetic route for a new tripodal branched trisilanol ligand PhSi(OSiPh2OH)3 (LH3) was developed. X‐ray diffraction analysis revealed that the trisilanol crystallizes as a dimer with a cyclic hydrogen‐bonding network. The reaction of LH3 with three equivalents of CunMesn (Mes = mesityl) led to a hexanuclear compound [L2Cu6] (1), which was characterized by single‐crystal X‐ray diffraction analysis as well as by solution NMR spectroscopy. The crystal structure of 1 revealed that the compound features a hexagonal planar CuI6 ring, which is the first of its kind in an oxygen environment. Deprotonation of the ligand with n‐butyllithium and subsequent reaction with CuBr2 resulted in the dinuclear CuII complex [L′2Cu2][Li(THF2)]2 (2, THF = tetrahydrofuran), which contains a new siloxide ligand formed from L3– by the elimination of a SiOPh2 unit, as evidenced by X‐ray diffraction analysis. To check if the “Ph2SiO” elimination is a general behavior of this trisilanol, the reaction with ZnBr2 was investigated under analogous conditions. However, this led to the isolation of [L2Zn2][Li(OEt)]2 (3) without any rearrangement of the siloxide ligand.
• Trapping Aluminum Hydroxide Clusters with Trisilanols during Speciation in Aluminum(III)-Water Systems: Reproducible, Large Scale Access to Molecular Aluminate Models
  作者：Kapil Shyam Lokare、Nicolas Frank、Beatrice Braun-Cula、Itziar Goikoetxea、Joachim Sauer、Christian Limberg

  DOI：10.1002/anie.201604305

  日期：2016.9.26

  trapping reagents: their presence during the hydrolysis of AliBu2H in dependence on the amount of water used allowed for the isolation of tri‐ and octanuclear aluminum hydroxide cluster complexes [Al3(μ2‐OH)3(THF)3(PhSi(OSiPh2O)3)2] (1) and [Al8(μ3‐OH)2(μ2‐OH)10(THF)3(p‐anisylSi(OSiPh2O)3)4] (2). 1 can be regarded as the Al(OH)3 cyclic trimer, where six protons have been replaced by silyl residues

  为了从分子水平上了解扩展氧化物/氢氧化物某些功能和单元的性质，需要合适的分子模型化合物。作为获取此类化合物的一种有吸引力的途径，可以想到在适当的前体化合物水解过程中借助稳定的配体捕获早期中间体的方法，该方法已针对铝（III）/水系统进行了测试。事实上，trisilanols证明合适的捕获试剂：Al的水解过程中它们的存在我卜2中的水的量依赖H被允许用于三-和octanuclear氢氧化铝簇配合物[Al的隔离3（μ 2 -OH）3（THF）3（PhSi（OSiPh 2O）3）2 ]（1）和[铝8（μ 3 -OH）2（μ 2 -OH）10（THF）3（对- anisylSi（OSiPh 2 O）3）4 ]（2）。1可以看作是Al（OH）3环状三聚体，其中六个质子已被甲硅烷基残基取代。而2采用了独特的[铝8（μ 3 -OH）2（μ 2 -OH）10 ] 12+核。与大多数这种类型的其他已知聚集体相