tetrakis(1,1,1-triphenylsiloxy)titanium

• 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: tetrakis(1,1,1-triphenylsiloxy)titanium
• 英文别名: tetrakis(triphenylsilyloxy)titanium；Ti(OSiPh3)4；Oxido(triphenyl)silane;titanium(4+)；oxido(triphenyl)silane;titanium(4+)
• 化学式: C₇₂H₆₀O₄Si₄Ti
• 分子量: 1149.49
• InChiKey: IYDLBKNOGJNAJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.05
• 重原子数：
  81
• 可旋转键数：
  12
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tetrakis(1,1,1-triphenylsiloxy)titanium 、 1,3,5,7,9,11,14-heptacyclopentyltricyclo[7.3.3.15,11]heptasiloxane-endo-3,7,14-triol 以 四氢呋喃 为溶剂， 以15%的产率得到
  参考文献：
  名称：

  The Identity in Atomic Structure and Performance of Active Sites in Heterogeneous and Homogeneous, Titanium−Silica Epoxidation Catalysts

  摘要：

  The nature of the Ti(IV) active site in heterogeneous titano-silica epoxidation catalysts is shown to be same as that of a Ti(IV)-centered site bound to soluble homogeneous silsesquioxane catalysts. A range of techniques, encompassing pre- and near-edge X-ray absorption spectroscopy and molecular dynamics calculations, provides quantitative information pertaining to the four-coordinated site that is tripodally anchored to silica. The catalytic performance of a series of engineered active sites in [(c-C5H9)(7)Si7O12TiOXPh3], where X = Si, Ge, or Sn, shows that the order of enhancement is Ge > Sn > Si. This is compared with previously published(7) performances of engineered active sites in solid titano-silicate catalysts. The key importance of accessibility to the four-coordinated Ti(IV) site is highlighted here.

  DOI：

  10.1021/jp991991+
• 作为产物：
  描述：

  tetrabutoxytitanium 、 triphenylsilyl hydroperoxide 以 苯 为溶剂， 生成 tetrakis(1,1,1-triphenylsiloxy)titanium
  参考文献：
  名称：

  Reactions of titanium alcoholates Ti(OR)4 (R = n-Bu, t-Bu) with tertiary organic and organometallic hydroperoxides

  摘要：

  tert-Butyl and cumyl hydroperoxides in the reactions with Ti(OR)(4) are reduced to alcohols with the evolution of oxygen via formation of titanium-containing peroxides and trioxides. The pathways of the reactions of Ti(OR)(4) with triphenylelement hydroperoxides R3EOOH (E = C, Si, Ge) depend on element E and on the structure of R; the reactions involve the rearrangement of the peroxides, and with (n-BUO)(4)Ti the alkoxy group is oxidized either with preservation or with breakdown of the hydrocarbon skeleton.

  DOI：

  10.1134/s1070363206020137

文献信息

• Stepwise substitution of N,N-di-isopropylcarbamato groups of Ti(O2CNiPr2)4 by triphenylsilanol leading from eight- to six- and four-co-ordinated titanium(IV)
  作者：Daniela Belli Dell’Amico、Fausto Calderazzo、Sandra Ianelli、Luca Labella、Fabio Marchetti、Giancarlo Pelizzi

  DOI：10.1039/b005114o

  日期：——

  Carbamato displacement from the hydrocarbon soluble N,N-diisopropylcarbamato derivative Ti(O2CNiPr2)4, 1, by triphenylsilanol led to the bis(silanolato)bis(carbamato) complex Ti(O2CNiPr2)2(OSiPh3)2, 2. X-Ray diffraction showed the mononuclear compound 1 to contain eight-co-ordinated titanium with slightly asymmetric bidentate carbamato groups in a distorted dodecahedral geometry. Titanium is six-co-ordinated in 2 to six oxygen atoms belonging to two bidentate carbamato groups and to two cis-arranged silanolato ligands in a distorted octahedral geometry. Exhaustive carbamato displacement from titanium, carried out with a silanol∶titanium molar ratio > 4∶1, afforded the mononuclear tetrasilanolato complex Ti(OSiPh3)4, 3, containing a tetrahedral titanium centre.

  X 射线衍射显示单核化合物 1 含有八个配位的钛，这些钛与略微不对称的双齿氨基甲酸乙酯基团呈扭曲的十二面体几何形状。钛在 2 中与六个氧原子六配位，分别属于两个双齿氨基甲酸基团和两个顺式排列的硅烷醇配体，呈扭曲的八面体几何形状。在硅醇∶钛摩尔比大于 4∶1 的条件下，从钛中完全置换出氨基甲酸乙酯，得到了含有一个四面体钛中心的单核四硅醇络合物 Ti(OSiPh3)4, 3。
• 一种四(1,1,1-三苯基硅氧基)钛的制备方法及催化剂
  申请人：中国石油化工股份有限公司

  公开号：CN114437126A

  公开（公告）日：2022-05-06

  本发明公开了一种四(1,1,1‑三苯基硅氧基)钛的制备方法及催化剂。所述制备方法包括：三苯基硅烷醇溶解在溶剂中，滴加钛酸四丁酯进行反应，制得四(1,1,1‑三苯基硅氧基)钛；所述溶剂为甲苯或二甲苯。本发明以三苯基硅烷醇为原料，通过滴加钛酸四丁酯制备四(1,1,1‑三苯基硅氧基)钛，反应在工业上常用的低毒溶剂二甲苯中进行，不产生有毒有害废料，适合大规模工业应用。这种制备方法的主要优点是操作温度不高，操作过程简单，对设备也没有过高要求，因此设备投资和操作成本都较低，且产率较高，具有一定的经济效益。
• The preparation, molecular structure and catalytic relevance of Ti(OSiPh3)4 and Ti(OGePh3)4
  作者：Brian F.G. Johnson、Marek C. Klunduk、Caroline M. Martin、Gopinathan Sankar、Simon J. Teate、John Meurig Thomas

  DOI：10.1016/s0022-328x(99)00744-5

  日期：2000.2

  The preparation, spectroscopic characterisation and molecular structures of the four-coordinate, tetrahedral and monomeric compounds Ti(OSiPh(3))(4) and Ti(OGePh(3))(4) are presented and discussed. The catalytic inactivity of both of these compounds may be rationalised on the basis of the steric inaccessibility of the substrates to the Ti(IV) active sites, which are effectively shrouded by the bulky triphenyl groups. (C) 2000 Elsevier Science S.A. All rights reserved.
• MAKAROV, YU. V.;KORNEEV, N. N., XIMIYA I PRAKT. PRIMENENIE KREMNIJORGAN. SOED., L.,(1988) S. 67-68
  作者：MAKAROV, YU. V.、KORNEEV, N. N.

  DOI：——

  日期：——