1,3,5,7,9,11,14-heptacyclopentyltricyclo[7.3.3.15,11]heptasiloxane-endo-3,7,14-triol | 183387-28-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3,5,7,9,11,14-heptacyclopentyltricyclo[7.3.3.15,11]heptasiloxane-endo-3,7,14-triol
• 英文别名: trisilanol；1,3,5,7,9,11,14-hepta(cyclopentyl)tricyclo[7.3.3.1^5,11]heptasiloxane-endo-3,7,14-riol；SO 1430；trisilanol cyclopentyl-POSS；cyclo-POSS；silsesquioxane；1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
• CAS: 183387-28-2
• 化学式: C₃₅H₆₆O₁₂Si₇
• 分子量: 875.5
• InChiKey: UVPNNMSOKAULIN-UHFFFAOYSA-N

物化性质

• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.34
• 重原子数：
  54
• 可旋转键数：
  7
• 环数：
  10.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  144
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  1,3,5,7,9,11,14-heptacyclopentyltricyclo[7.3.3.15,11]heptasiloxane-endo-3,7,14-triol 在 potassium carbonate 、 三乙胺 、 sodium iodide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Synthesis and Dielectric Properties of Polyimide-Tethered Polyhedral Oligomeric Silsesquioxane (POSS) Nanocomposites via POSS-diamine

  摘要：

  Polyimide-tethered polyhedral oligomeric silsesquioxane, (R7R'Si8O12) (POSS), nanocomposites with well-defined architectures are prepared by the copolymerization reaction of a new type of diamine monomer: POSS-diamine, 4,4'-oxydianiline (ODA), and pyromellitic dianhydride (PMDA). This type of polyimide-side-chain-tethered POSS nanocomposite presents self-assembly characteristics when the amount of POSS exceeds 10 mol %, as evidenced by transmission electron microscopy studies. Furthermore, POSS/polyimide nanocomposites have both lower and tunable dielectric constants, with the lowest value of 2.3, and controllable mechanical properties, as compared to that of pure polyimide.

  DOI：

  10.1021/ma034743r
• 作为产物：
  描述：

  [Pd{O11Si7(c-C5H9)7(OH)}(bpy)] 在 对甲酚 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 1,3,5,7,9,11,14-heptacyclopentyltricyclo[7.3.3.15,11]heptasiloxane-endo-3,7,14-triol
  参考文献：
  名称：

  Preparation and reactivity of an O,O-chelating silsesquioxane–palladium complex

  摘要：

  An incompletely condensed silsesquioxane containing trisilanol (c-C5H9)(7)Si7O9(OH)(3) reacts with [PdI2(bpy)] (bpy 2,2'-bipyridine) in the presence of Ag2O to produce a palladium complex with an O,O-chelating silsesquioxanate ligand, [Pd{O11Si7(c-C5H9)(7)(OH)}(bpy)] (1). The reaction of Ph2SiClH with 1 in 2: 1 ratio causes disilylations of the silsesquioxanate ligand, forming [PdCl2(bpy)]. Addition of p-cresol to a solution of 1 yields the trisilanol and [Pd(OC6H4CH3-p)(2)(bpy)]. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.09.029

文献信息

• Synthesis of Novel Group 4 Metallocene-Containing Silsesquioxanes with a Vinyl Group
  作者：Kenji Wada、Masaki Bundo、Daisuke Nakabayashi、Naohiko Itayama、Teruyuki Kondo、Take-aki Mitsudo

  DOI：10.1246/cl.2000.628

  日期：2000.6

  Novel zirconocene or hafnocene-containing silsesquioxanes with a vinyl group Cp2M[(vinyl)Me2Si](c-C5H9)7Si7O12} (Cp = cyclopentadienyl, M = Zr, Hf) were synthesized, as well as a derivative with a trimethylsilyl group Cp2Zr[(Me3Si)(c-C5H9)7Si7O12]. A derivative containing a dimethylethoxysilyl group was also synthesized.

  具有乙烯基团的新型含锆或含铪的硅倍半氧烷Cp2M[(vinyl)Me2Si](c-C5H9)7Si7O12} (Cp = 环戊二烯基，M = Zr, Hf)被合成，以及含有三甲基硅基团的衍生物Cp2Zr[(Me3Si)(c-C5H9)7Si7O12]。还合成了含有二甲基乙氧基硅基团的衍生物。
• Synthesis and Catalytic Activity of Group 4 Metallocene Containing Silsesquioxanes Bearing Functionalized Silyl Groups
  作者：Kenji Wada、Naohiko Itayama、Naoki Watanabe、Masaki Bundo、Teruyuki Kondo、Take-aki Mitsudo

  DOI：10.1021/om040082q

  日期：2004.11.1

  vinyl, allyl), have been synthesized. The structures of the complexes Cp2M[(c-C5H9)7Si7O11](OSiMe2CH2CHCH2) (M = Zr (3d), Hf (5d)) have been unambiguously established by single-crystal X-ray diffraction analyses. Silylation or germylation of the zirconocene-containing silsesquioxane monosilanol Cp2Zr[(c-C5H9)7Si7O11](OH) (3a) or its hafnocene derivative Cp2Hf[(c-C5H9)7Si7O11](OH) (5a), which can be prepared

  一系列含有茂金属的倍半硅氧烷与alkenylsilyl和三甲基甲硅烷基，CP ' 2 M [（CC 5 ħ 9）7的Si 7 ø 11 ]（OSiMe 2 R）（图2b - d，3B - d，4D，5D：CP' ＝ Cp（环戊二烯基），Cp *（五甲基环戊二烯基）； M ＝ Ti，Zr，Hf，R ＝甲基，乙烯基，烯丙基）。配合物Cp 2 M [（cC 5 H 9）7 Si 7 O 11 ]（OSiMe 2的结构CH 2 CH CH 2）（M = Zr（3d），Hf（5d））已通过单晶X射线衍射分析明确建立。含锆茂的倍半硅氧烷单硅醇Cp 2 Zr [（cC 5 H 9）7 Si 7 O 11 ]（OH）（3a）或其ha衍生物Cp 2 Hf [（cC 5 H 9）7 Si 7 O 11 ]（OH）（5a），可以通过倍半硅氧烷倍半硅氧烷三硅醇（cC 5 H 9）7 Si 7 O 9（OH）3（1
• Half-Sandwich Group 4 Metal Siloxy and Silsesquioxane Complexes:  Soluble Model Systems for Silica-Grafted Olefin Polymerization Catalysts
  作者：Robbert Duchateau、Ulrich Cremer、Roelant J. Harmsen、Said I. Mohamud、Hendrikus C. L. Abbenhuis、Rutger A. van Santen、Auke Meetsma、Sven K.-H. Thiele、Maurits F. H. van Tol、Mirko Kranenburg

  DOI：10.1021/om9904495

  日期：1999.12.1

  observation that even complexes containing a tridentate silsesquioxane ligand, [(c-C5H9)7Si8O12]MCp‘ ‘ (M = Ti (13), Zr (14)), form active ethylene polymerization catalysts when activated with MAO indicates that silsesquioxane and siloxy ligands are easily substituted by MAO. The silsesquioxane and siloxy bis(alkyl) complexes (10, 11, 12a) form active olefin polymerization catalysts when activated with

  已应用水解（c -C 5 H 9）7 Si 8 O 12 Cl（1）后获得的立方八聚羟基倍半硅氧烷（c -C 5 H 9）7 Si 8 O 12（OH）（2）和三苯基硅烷醇作为二氧化硅接枝的烯烃聚合催化剂的模型载体。通过氯化物易位或质子​​分解将配体引入第4族金属上。Cp''MCl 3（M = Ti，Zr; Cp''= 1,3-C 5 H 3（SiMe 3）的处理2）含倍半硅氧烷和硅氧基锂或salts盐，[（c -C 5 H 9）7 Si 8 O 13 ] M'（M'= Tl（3），Li（4），Li·TMEDA（5））或Ph 3 SiOTl给出了二氯化物络合物Cp''[（c -C 5 H 9）7 Si 8 O 13 ] MCl 2（M = Ti（6a），Zr（7a））和Cp''[Ph 3 SiO] TiCl 2（8a）或一氯化物Cp''[（c -C 5 H 9）7 Si 8 O 13 ] 2
• A functional model for lanthanide doped silicate materials: synthesis of an apically substituted samarium silsesquioxane complex
  作者：Polly L. Arnold、Alexander J. Blake、Sarah N. Hall、Benjamin D. Ward、Claire Wilson

  DOI：10.1039/b009123p

  日期：——

  Steric protection of a trisilanol silsesquioxane (also referred to as a silasesquioxane) by one TBDMS group (SiMe2But) generated a new siloxanolate ligand, (c-C5H9)7Si7O9(OH)2(OTBDMS) 1, that allows only restricted access to a co-ordinated metal. Lithiation afforded the stable complex (c-C5H9)7Si7O9(OLi)2(OTBDMS), which has allowed the generation of a samarium adduct [Sm(OC6H3But2-2,6)(c-C5H9)7Si7O9(O)(OLi)(OTBDMS)}2]. A structural study of this samarium adduct revealed two unusual features: an absence of stabilising M–O interactions with the siloxane core, and retention of one apical aryloxide group at the trivalent metal, through which the chemistry of a silica-functionalised Ln3+ ion might be modelled. X-Ray crystallography also revealed the dimeric hydrogen bonded structure of the disilanol ligands. The disilanol ligand 1 may also readily be converted into a dithallium salt, providing a potential precursor for further f-element derivatives of this disilanolate moiety.

  通过一个TBDMS基团（SiMe2But）对一个三羟基硅倍半氧烷（也称为硅倍半氧烷）进行立体保护，产生了一种新的硅氧烷配体，(c-C5H9)7Si7O9(OH)2(OTBDMS) 1，该配体只能限制性地接近配位的金属。锂化作用得到了稳定的配合物(c-C5H9)7Si7O9(OLi)2(OTBDMS)，从而生成了一种钐加合物[Sm(OC6H3But2-2,6)(c-C5H9)7Si7O9(O)(OLi)(OTBDMS)}2]。对这种钐加合物的结构研究表明其具有两个不寻常的特征：与硅氧烷核心缺乏稳定性的M–O相互作用，以及在三价金属上保留了一个顶端芳氧基团，通过这个顶端芳氧基团可以模拟硅功能化的Ln3+离子的化学。X射线晶体学还揭示了二硅醇配体的二聚氢键结构。二硅醇配体1也可以容易地转化为二铊盐，为这种二硅烷配体部分的进一步f元素衍生物提供了潜在的前体。
• Silsesquioxane-bonded zirconocene complexes; soluble models for silica-tethered olefin polymerization catalysts
  作者：John R. Severn、Robbert Duchateau、Rutger A. van Santen、Dianne D. Ellis、Anthony L. Spek、Glenn P. A. Yap

  DOI：10.1039/b300698k

  日期：——

  Silsesquioxane tethered fluorene ligands [R7Si8O12X]-9-Flu(H) (R = c-C6H11, X = – (1); R = c-C5H9, X = CH2 (2), (CH2)3 (3), C6H4CH2 (4)), (c-C5H9)7Si8O12CH2-9-Flu(9-EMe3) (E = Si (5a), Sn (5b)) and zirconium dichlorides Cp″[(c-C5H9)7Si8O12CH2-9-Flu]ZrCl2 (6b, Cp″ = 1,3-C5H3(SiMe3)2), Cp*[(c-C5H9)7Si8O12-X-9-Flu]ZrCl2 (X = CH2 (6a), (CH2)3 (7), C6H4CH2 (8)) and [(c-C5H9)7Si8O12CH2-9-Flu]2ZrCl2 (9) have been applied as models for silica-tethered ancillary ligands and silica tethered-zirconocenes. Immobilization of zirconocenes containing a pendant anchorable functionality, Cp″[Me2(EtO)SiCH2Flu]ZrCl2 (10) and Cp[C5Me4SiMe2OEt]ZrCl2 (11) was considerably hampered by competitive Zr–Cl and Si–OEt bond splitting. When activated with MAO (methylalumoxane), 6–9 yield active ethylene polymerization systems.

  Silsesquioxane 链接的氟烯配体 [R7Si8O12X]-9-Flu(H) (R = c-C6H11, X = – (1); R = c-C5H9, X = CH2 (2), (CH2)3 (3), C6H4CH2 (4)), (c-C5H9)7Si8O12CH2-9-Flu(9-EMe3) (E = Si (5a), Sn (5b)) 和锆二氯化物 Cp″[(c-C5H9)7Si8O12CH2-9-Flu]ZrCl2 (6b, Cp″ = 1,3-C5H3(SiMe3)2), Cp*[(c-C5H9)7Si8O12-X-9-Flu]ZrCl2 (X = CH2 (6a), (CH2)3 (7), C6H4CH2 (8)) 以及 [(c-C5H9)7Si8O12CH2-9-Flu]2ZrCl2 (9) 已被应用作为硅连接的辅助配体和硅连接的锆烯模型。 含有悬挂可锚定功能的锆烯的固定化，Cp″[Me2(EtO)SiCH2Flu]ZrCl2 (10) 和 Cp[C5Me4SiMe2OEt]ZrCl2 (11) 受到竞争性 Zr–Cl 和 Si–OEt 键断裂的显著阻碍。当与 MAO（甲基铝氧烷）激活时，6–9 产生活性乙烯聚合系统。