2,2'-((((3,5,7,9,11,13,15-heptaisobutyl-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)oxy)(methyl)silanediyl)bis(4,1-phenylene))bis(5-(phenylethynyl)isoindoline-1,3-dione) | 1250263-72-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2,2'-((((3,5,7,9,11,13,15-heptaisobutyl-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)oxy)(methyl)silanediyl)bis(4,1-phenylene))bis(5-(phenylethynyl)isoindoline-1,3-dione)
• CAS: 1250263-72-9
• 化学式: C₇₃H₉₀N₂O₁₇Si₉
• 分子量: 1520.29
• InChiKey: JXMGBUWNEVOHAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.66
• 重原子数：
  101.0
• 可旋转键数：
  20.0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  194.75
• 氢给体数：
  0.0
• 氢受体数：
  17.0

反应信息

• 作为产物：
  描述：

  1-hydroxy-3,5,7,9,11,13,15-hepta(isobutyl)pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane 、 4-苯基乙炔基邻苯二甲酸酐 以 四氢呋喃 、 甲苯 为溶剂， 反应 22.0h， 以90%的产率得到2,2'-((((3,5,7,9,11,13,15-heptaisobutyl-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)oxy)(methyl)silanediyl)bis(4,1-phenylene))bis(5-(phenylethynyl)isoindoline-1,3-dione)
  参考文献：
  名称：

  Thermal Transitions and Reaction Kinetics of Polyhederal Silsesquioxane containing Phenylethynylphthalimides

  摘要：

  Thermal transitions and reaction kinetics of polyhedral oligomeric silsesquioxane (POSS) with phenylethynylphthalimide (PEPI) moieties were investigated Specifically, this study was designed to probe the influence of the POSS peripheries, types of spacer group in between the PEPI and the SiO1 5 core, the architecture of the PEPI arrangement with respect to the SiO1 5 core, and the number of PEPI groups per cage on the thermal transitions and the cross linking reaction of phenylethynyl PEPI-POSS compounds with isobutyl peripheries exhibited lower melting temperatures as compared to those with phenyl periphery consequently these isobutyl PEPI-POSS derivatives have a higher phenylethynyl reaction rate, although the onset of reaction temperature was not significantly affected Changing the spacer group from propyl to phenyl causes an increase in the melting transition temperature along with a higher heat of fusion at melting however, the more rigid phenyl spacer enables the PEPI-POSS to form a higher degree of crystallinity upon cooling The more rigid phenyl spacer also initiates the polyene reactions at lower temperatures For POSS with PEPI attached to either side of the cage, there are two isomers with respect to the SiO1 5 core This mixture of two isomers inhibits the formation of crystallinity as compared with the 'pendent' derivative where both PEPI groups come off from the same corner of FOSS cage Finally, it was found that these PEPI-POSS molecules have reaction kinetics and onset temperatures on par with organic hexafluorophenylethynyl oligoimides, which make these PEPI-POSS molecules excellent candidates as nanocomposite additives in high performance composite applications

  DOI：

  10.1021/ma101640q