(3-hydroxypropyl)-heptaisobutyl-silsesquioxane | 681235-70-1

• 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: (3-hydroxypropyl)-heptaisobutyl-silsesquioxane
• 英文别名: POSS；PSS-(3-Hydroxypropyl)-heptaisobutyl substituted；3-[3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]propan-1-ol
• CAS: 681235-70-1
• 化学式: C₃₁H₇₀O₁₃Si₈
• 分子量: 875.573
• InChiKey: KHIWQVOGMPGXTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.74
• 重原子数：
  52
• 可旋转键数：
  17
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  131
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  (3-hydroxypropyl)-heptaisobutyl-silsesquioxane 在 4-二甲氨基吡啶 、 potassium carbonate 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 4.0h， 生成 3-[3,5,7,9,11,13,15-Heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]propyl 11-(4-formylphenoxy)undecanoate
  参考文献：
  名称：

  Design and Synthesis of Dumbbell-Shaped POSS-C₆₀Dyads with Flexible Spacer

  摘要：

  Using polyhedral oligomeric silsesquioxane (POSS) as starting material, novel dumbbell-shaped POSS-C-60 dyads with flexible spacers were designed and synthesized in good yields by esterification, subsequent etherification, and further 1,3-dipolar cycloaddition of azomethine ylide generated in situ from aldehyde and sarcosine to C-60.

  DOI：

  10.1080/00397911.2011.589562

文献信息

• Selective Catalytic Synthesis of Unsymmetrical Ethers from the Dehydrative Etherification of Two Different Alcohols
  作者：Junghwa Kim、Dong-Hwan Lee、Nishantha Kalutharage、Chae S. Yi

  DOI：10.1021/cs5012537

  日期：2014.11.7

  The cationic ruthenium–hydride complex [(C6H6)(PCy3)(CO)RuH]+BF4– catalyzes selective etherification of two different alcohols to form unsymmetrically substituted ethers. The catalytic method exhibits a broad substrate scope while tolerating a range of heteroatom functional groups in forming unsymmetrical ethers, and it is successfully used to directly synthesize a number of highly functionalized chiral

  阳离子钌-氢化物配合物[（C 6 H ^ 6）（PCY 3）（CO）期RuH] + BF 4 -催化两个不同的醇的醚化的选择性，以形成不对称取代的醚。该催化方法在形成不对称醚时可容忍一定范围的杂原子官能团，因此具有广阔的底物范围，并且已成功用于直接合成许多高度官能化的手性非外消旋醚。
• New BODIPY chromophores bound to polyhedral oligomeric silsesquioxanes (POSS) with improved thermo- and photostability
  作者：Marta Liras、Mercedes Pintado-Sierra、Francisco Amat-Guerri、Roberto Sastre

  DOI：10.1039/c1jm11261a

  日期：——

  New hybrid dyes, analogs of the BODIPY laser dye PM567, with the chromophore group covalently bound to a POSS T8 group, have been prepared and their photophysical properties in ethyl acetate solution and in poly(methyl methacrylate) (PMMA) thin film solution have been studied. In PMMA solution and under comparative conditions, the dyes show higher thermostability than the parent dye PM567, the related compound POSS(iBu)8, and the corresponding unbound model dyes, because the first mass loss takes place at higher temperatures. In addition, their photostabilities in the same medium under irradiation with 365 nm light are much higher than those of the dye PM567 or an equimolar mixture of PM567 plus POSS(iBu)8 under the same conditions, indicating that the POSS moiety photostabilizes the bound BODIPY group. The different photostabilities could be a consequence of different reactivities of the hybrid dyes with self-generated singlet oxygen, because they show lower reaction rate constant values than PM567, although the observed tendency of these values does not correlate with that of the photodegradation quantum yield values. The new hybrid materials can be employed in applications where highly photostable and highly emissive dyes are required.

  新型杂化染料，作为激光染料PM567的类似物，其色素基团与POSS T8基团共价结合，已被合成，并研究了其在乙酸乙酯溶液和聚甲基丙烯酸甲酯（PMMA）薄膜溶液中的光物理性质。在PMMA溶液中，在比较条件下，这些染料表现出比原染料PM567、相关化合物POSS(iBu)8及相应未结合的模型染料更高的热稳定性，因为首次质量损失发生在更高的温度下。此外，在365 nm光照射下，它们在相同介质中的光稳定性远高于染料PM567或在相同条件下的PM567和POSS(iBu)8等摩尔混合物，表明POSS基团能够光稳定结合的BODIPY基团。这些不同的光稳定性可能是由于杂化染料与自生单态氧的反应性差异造成的，因为它们的反应速率常数值低于PM567，尽管这些值的观察趋势与光降解量子产率值的趋势不相关。这些新型杂化材料可以应用于对高度光稳定和高发射性染料有需求的领域。
• Structural complexity induced by topology change in hybrids consisting of hexa-peri-hexabenzocoronene and polyhedral oligomeric silsesquioxane
  作者：Meng-Yao Zhang、Sheng Zhou、Hong-Bing Pan、Jing Ping、Wei Zhang、Xing-He Fan、Zhihao Shen

  DOI：10.1039/c7cc04897a

  日期：——

  Increasing POSS content (or changing topology) of organic–inorganic hybrids with HBC and POSS results in more complex self-assembled structures. This work provides a new approach for the design and synthesis of materials with sub-10 nm sizes.

  通过增加HBC和POSS的有机-无机混合物中的POSS含量（或改变拓扑结构），会导致更复杂的自组装结构。这项工作为设计和合成尺寸小于10纳米的材料提供了一种新方法。
• Crystal structure and molecular packing of an asymmetric giant amphiphile constructed by one C60 and two POSSs
  作者：Ming-Champ Lin、Chih-Hao Hsu、Hao-Jan Sun、Chien-Lung Wang、Wen-Bin Zhang、Yiwen Li、Hsin-Lung Chen、Stephen Z.D. Cheng

  DOI：10.1016/j.polymer.2014.07.008

  日期：2014.8

  development of functionalized molecular nanoparticles (MNPs) as building blocks for constructing various giant molecules, we report our efforts on design and synthesis of an asymmetric giant amphiphile, diBPOSS–C60, composed of one [60]fullerene (C60) covalently linked with two isobutyl-functionalized polyhedral oligomeric silsesquioxane (BPOSS) MNPs. Its crystal structure and molecular packing were investigated

  基于我们对功能化分子纳米粒子（MNP）作为构建各种巨型分子的基础的最新认识和发展，我们报告了我们在设计和合成由一种[60]富勒烯构成的不对称巨型两亲物diBPOSS–C 60方面的努力（ C 60）与两个异丁基官能化的多面体低聚倍半硅氧烷（BPOSS）MNP共价连接。研究了其晶体结构和分子堆积。C 60和BPOSS之间的成分不对称导致“夹心层”分子堆积方案，其中单层C 60夹在两个BPOSS层之间：所谓的“一层半”结构。在这些层中，分子进一步组织成晶体阵列。有趣的是，该化合物可视为一类具有“一层半”结构的原子薄的二维分层过渡金属二卤化物的尺寸放大。
• Synthesis and sub-10 nm supramolecular self-assembly of a nanohybrid with a polynorbornene main chain and side-chain POSS moieties
  作者：Ping-Ping Hou、Ke-Hua Gu、Yu-Feng Zhu、Zheng-Yu Zhang、Qian Wang、Hong-Bing Pan、Shuang Yang、Zhihao Shen、Xing-He Fan

  DOI：10.1039/c5ra12152c

  日期：——

  connected building blocks, namely MJLCP and POSS moieties, PNb10POSS shows various phase structures including an angstrom POSS crystal (Cr), a hexagonal columnar (Colh) phase and the Cr coexisting, and the Colh phase at different temperatures. The POSS crystal has a tremendous effect on the liquid crystalline (LC) behavior of the MJLCP. The results show that the competition between the crystallization

  通过开环易位聚合反应，合成了在侧链中包含多面体低聚倍半硅氧烷（POSS）的聚降冰片烯基介晶夹层液晶聚合物（MJLCP）。单体的化学结构通过1 H / 13 C NMR，高分辨率质谱和元素分析确认。用1对聚合物进行分子表征1 H NMR，凝胶渗透色谱和热重分析。通过差示扫描量热法，偏光显微镜，一维广角X射线散射，同步辐射小角X射线散射（SAXS），二维研究了这种新型有机-无机杂化聚合物的相行为。广角X射线衍射和高分辨率透射电子显微镜。PNb10POSS具有两个共价连接的结构单元（即MJLCP和POSS部分）的竞争性自组装，因此显示出各种相结构，包括埃POSS晶体（Cr），六方柱状（Col h）相和Cr共存，以及Col H在不同温度下的相。POSS晶体对MJLCP的液晶（LC）行为具有巨大影响。结果表明，POSS的结晶与整个聚合物的LC形成之间的竞争导致了基于MJLCP的纳米杂化物的复杂相行为