(cyclopentyl)7Si7O9(OH)2OSi(CH3)3

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: (cyclopentyl)7Si7O9(OH)2OSi(CH3)3
• 英文别名: (c-C5H9)7Si7O10(SiMe3)(OH)2；(cyclopentyl)7Si7O11(OH)2(OSiMe3)；(C5H9)7Si7O9(OTMS)(OH)2；(c-C5H9)7Si7O9(OSiMe3)(OH)2；(cyclopentyl)7Si7O9(OSiMe3)(OH)2；(1,3,5,7,9,11,14-Heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl)oxy-trimethylsilane
• 化学式: C₃₈H₇₄O₁₂Si₈
• 分子量: 947.682
• InChiKey: CBRHNYOIOLUMGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.19
• 重原子数：
  58
• 可旋转键数：
  9
• 环数：
  10.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  133
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  (cyclopentyl)7Si7O9(OH)2OSi(CH3)3 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Thallium-Stabilized Silsesquioxides: Versatile Reagents for the Synthesis of Metallasilsesquioxanes, Including High-Valent Molybdenum-Containing Silsesquioxanes

  摘要：

  The reactions of the incompletely-condensed silsesquioxanes (c-C6H11)(7)Si7O9(OH)(3) (1a), (c-C6H11)(7)Si7O9(OTMS)(OH)(2) (2a), (c-C5H9)(7)Si7O9(OTMS)(OH)(2) (2b), and (c-C6H11)(7)Si7O9(OTMS)(2)(OH) (3a) with thallium(I) ethoxide (1/1 Tl/OH) result in the formation of the corresponding Tl-substituted silsesquioxanes [(C-C6H11)(7)Si7O9(OTl)(3)](n) (7a), [(c-C6H11)(7)Si7O9(OTMS)(OTl)(2)](n), (8a), [(c-C5H9)(7)Si7O9(OTMS)(OTl)(2)](n) (8b), and [(c-C6H11)(7)Si7O9(OTMS)(2)(OTl)](n) (9a). These thallium-stabilized silsesquioxides are not prone to cycloelimination reactions or the formation of ''ate'' complexes. They are versatile anionic equivalents of incompletely condensed silsesquioxanes which react- with a variety of halide complexes, including POCl3 and MoO2Cl2, to afford high yields of metallasilsesquioxanes.

  DOI：

  10.1021/om00008a043

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
• V₂O₅/SiO₂surface inspired, silsesquioxane-derived oxovanadium complexes and their properties
  作者：Christian Ohde、Marcus Brandt、Christian Limberg、Jens Döbler、Burckhard Ziemer、Joachim Sauer

  DOI：10.1039/b714933f

  日期：——

  Inspired by surface species proposed to occur on heterogeneous catalysts novel oxovanadium(V) silsesquioxanes were synthesised. Reaction of a T8-silsequioxane containing two geminal OH groups with OV(OiPr)3 led to a dinuclear compound where the geminal disiloxide functions of two silsesquioxanes are bridging two OV(OiPr) moieties (2). Formation of 2 shows that—in contrast to proposals made for silica surfaces—in molecular chemistry a bidentate coordination of geminal siloxides to one vanadium centre is not favourable. With the background that species being doubly anchored to a support have been suggested to play active roles on V2O5/SiO2catalysts an anionic complex has been prepared where a divalent dioxovanadium unit replaces one Si corner of a (RSiO1.5)8 cube (a Si–OH function remains pending) (3). 3 has been intensely investigated by vibrational spectroscopy, and to support assignments not only of the ν(VO) bands but also of the ν(V–O–Si) bands, whose positions are of interest in the area of heterogeneous catalysis, isotopic enrichment studies and DFT calculations have been performed. The corresponding investigations were aided by the synthesis and analysis of a silylated derivative of 3, 4. Moreover, with regard to their potential as structural and spectroscopic models all complexes were characterised by single crystal X-ray diffraction. Finally, 2 and 3 were tested as potential catalysts for the photooxidation of cyclohexane and benzene with O2. While 2 shows a slightly higher activity than vanadylacetylacetonate, 3 leads to significantly increased turnover numbers for the conversion of benzene to phenol.

  受异相催化剂表面物种的启发，我们合成了新型氧化钒（V）硅烷基sequioxane。含有两个基端羟基的 T8-硅sequioxane 与 OV(OiPr)3 反应生成了一种双核化合物，其中两个硅sequioxane 的基端二氧化二官能团桥接了两个 OV(OiPr) 分子（2）。2 的形成表明，与针对二氧化硅表面提出的建议相反，在分子化学中，宝石硅氧烷与一个钒中心的双齿配位并不有利。有人认为，在 V2O5/SiO2 催化剂上，双锚定在载体上的物种能发挥积极作用，在这种背景下，我们制备了一种阴离子复合物，其中二价二氧钒单元取代了 (RSiO1.5)8 立方体的一个硅角（Si-OH 功能仍未实现）(3)。我们通过振动光谱学对 3 进行了深入研究，并不仅对 ν（VO）带，还对ν（V-O-Si）带（其位置在异相催化领域很受关注）进行了赋值，同时还进行了同位素富集研究和 DFT 计算。通过合成和分析 3、4 的硅烷化衍生物，对相应的研究提供了帮助。此外，为了研究它们作为结构和光谱模型的潜力，所有复合物都通过单晶 X 射线衍射进行了表征。最后，对 2 和 3 作为环己烷和苯与氧气发生光氧化反应的潜在催化剂进行了测试。2 的活性略高于乙酰丙酮酸钒，而 3 则显著提高了苯转化为苯酚的周转次数。
• Ethylene Polymerization with Dimeric Zirconium and Hafnium Silsesquioxane Complexes
  作者：Robbert Duchateau、Hendrikus C. L. Abbenhuis、Rutger A. van Santen、Auke Meetsma、Sven K.-H. Thiele、Maurits F. H. van Tol

  DOI：10.1021/om980687k

  日期：1998.12.1

  (Cp‘‘ = 1,3-C5H3(SiMe3)2) or TiCl4 selectively affords the mono(silsesquioxane) complexes Cp‘‘[(c-C5H9)7Si8O13]Ti(CH2Ph)2 (1) and [(c-C5H9)7Si8O13]TiCl3 (2), respectively, while with M(CH2Ph)4 (M = Ti, Zr, Hf) mixtures of products were obtained. When the disilanol (c-C5H9)7Si7O9(OSiMe3)(OH)2 is reacted with M(CH2Ph)4 (M = Ti, Zr), the bis(silsesquioxane) complexes [(c-C5H9)7Si7O11(OSiMe3)]2M (M = Ti

  用Cp''Ti（CH 2 Ph）3（Cp''= 1,3-C 5 H 3（SiMe 3）2）处理硅烷醇（c -C 5 H 9）7 Si 8 O 12（OH ）或TiCl 4选择性提供单（倍半硅氧烷）配合物Cp''[（c -C 5 H 9）7 Si 8 O 13 ] Ti（CH 2 Ph）2（1）和[（c -C 5 H 9））7 Si 8 O 13 ] TiCl 3（2）分别与M（CH 2 Ph）4（M = Ti，Zr，Hf）混合得到。当二硅醇（c -C 5 H 9）7 Si 7 O 9（OSiMe 3）（OH）2与M（CH 2 Ph）4（M = Ti，Zr）反应时，双（倍半硅氧烷）络合物[[ c -C 5 H 9）7 Si 7 O 11（OSiMe 3）]仅形成2 M（M = Ti（3），Zr（4），Zr·2THF（5））。以（PhCH 2）2 ZrCl 2 ·OEt 2为前驱体，可以分离单（倍半硅氧烷）络合物[（c
• Synthesis and structural characterisation of platinum silasesquioxane complexes
  作者：Hendrikus C. L. Abbenhuis、Rutger A. van Santen、Andrew D. Burrows、Mark T. Palmer、Huub Kooijman、Martin Lutz、Anthony L. Spek

  DOI：10.1039/a808130a

  日期：——

  The reaction of partially condensed silasesquioxanes of the type [R17Si7O9(OH)2(OR2)] (R1 = c-C5H9, c-C6H11; R2 = H, SiMe3) with either [Pt(dppe)(CO3)] or [Pt(dppe)Cl2]/Ag2O leads to the formation of [R17Si7O9(OR2)O2Pt(dppe)], crystallographically characterised for R1 = c-C5H9; R2 = SiMe3, providing unprecedented routes to late transition metal silasesquioxane complexes.

  [R17Si7O9(OH)2(OR2)] (R1 = c-C5H9, c-C6H11; R2 = H, SiMe3) 类型的部分缩合硅倍半氧烷与 [Pt(dppe)(CO3)] 或 [Pt (dppe)Cl2]/Ag2O 导致形成 [R17Si7O9(OR2)O2Pt(dppe)]，晶体学特征为 R1 = c-C5H9； R2 = SiMe3，为后过渡金属硅倍半氧烷配合物提供了前所未有的途径。