1-(3-氯丙基)-3,5,7,9,11,13,15-七环戊基五环[9.5.1.13,9.15,15.17,13]八硅氧烷 | 308103-62-0

• 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
• 中文名称: 1-(3-氯丙基)-3,5,7,9,11,13,15-七环戊基五环[9.5.1.13,9.15,15.17,13]八硅氧烷
• 英文名称: PSS-(3-Chloropropyl)-Heptacyclopentyl substituted
• 英文别名: 1-(3-chloropropyl)-3,5,7,9,11,13,15-heptacyclopentyl-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]icosane
• CAS: 308103-62-0
• 化学式: C₃₈H₆₉ClO₁₂Si₈
• 分子量: 978.096
• InChiKey: IQAAOSWQOLDMAD-UHFFFAOYSA-N

物化性质

• 熔点：
  >350 °C(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  11.0
• 重原子数：
  59
• 可旋转键数：
  10
• 环数：
  13.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  12

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-氯丙基)-3,5,7,9,11,13,15-七环戊基五环[9.5.1.13,9.15,15.17,13]八硅氧烷 在 sodium iodide 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 24.0h， 以58%的产率得到
  参考文献：
  名称：

  Organic−Inorganic Polymer Hybrids Using Polyoxazoline Initiated by Functionalized Silsesquioxane

  摘要：

  New hybrid polyoxazolines (CubePOZO) were synthesized by ring-opening polymerization of 2-methyl-2-oxazoline initiated by functionalized polyhedral oligomeric silsesquioxane (POSS) with various feed ratios. The hybrid micelles derived from CubePOZO with both seven hydrophobic cyclopentyl groups of POSS and polyoxazoline (POZO) as a hydrophilic segment were prepared in an aqueous phase. Compared to POZO initiated by cyclohexyl iodide or methyl p-toluenesulfonate, increased hydrophobicity caused by the structure of POSS in CubePOZO played a major role in the micelle formation. This depended on the amount of POSS incorporated into the POZO. The CubePOZO100 and CubePOZO200 formed micelles in an aqueous phase with critical micelle concentrations (cmc) of 55 and 100 mg/L, respectively. Transparent polymer hybrids, homogeneous dispersion of hydrophobic POSS bonded covalently to POZO in the silica gel matrix at the molecular level, were obtained through hydrogen-bonding interaction between CubePOZO and silica gel. The obtained polymer hybrids from CubePOZO showed excellent solvent resistance, similar to that of polymer hybrids having an interpenetrating polymer network structure. It was concluded that the solvent-resistant property came from the size of POSS and the hydrophobic interaction between the POSS in the silica gel matrix. In addition, thermal stability of the polymer hybrids from CubePOZO was much increased compared to that of the polymer hybrids from homoPCZO and POSS.

  DOI：

  10.1021/ma021303b
• 作为产物：
  描述：

  环戊基三氯硅烷 在 三乙胺 作用下， 以 四氢呋喃 、 水 、 丙酮 为溶剂， 生成 1-(3-氯丙基)-3,5,7,9,11,13,15-七环戊基五环[9.5.1.13,9.15,15.17,13]八硅氧烷
  参考文献：
  名称：

  Organic−Inorganic Polymer Hybrids Using Polyoxazoline Initiated by Functionalized Silsesquioxane

  摘要：

  New hybrid polyoxazolines (CubePOZO) were synthesized by ring-opening polymerization of 2-methyl-2-oxazoline initiated by functionalized polyhedral oligomeric silsesquioxane (POSS) with various feed ratios. The hybrid micelles derived from CubePOZO with both seven hydrophobic cyclopentyl groups of POSS and polyoxazoline (POZO) as a hydrophilic segment were prepared in an aqueous phase. Compared to POZO initiated by cyclohexyl iodide or methyl p-toluenesulfonate, increased hydrophobicity caused by the structure of POSS in CubePOZO played a major role in the micelle formation. This depended on the amount of POSS incorporated into the POZO. The CubePOZO100 and CubePOZO200 formed micelles in an aqueous phase with critical micelle concentrations (cmc) of 55 and 100 mg/L, respectively. Transparent polymer hybrids, homogeneous dispersion of hydrophobic POSS bonded covalently to POZO in the silica gel matrix at the molecular level, were obtained through hydrogen-bonding interaction between CubePOZO and silica gel. The obtained polymer hybrids from CubePOZO showed excellent solvent resistance, similar to that of polymer hybrids having an interpenetrating polymer network structure. It was concluded that the solvent-resistant property came from the size of POSS and the hydrophobic interaction between the POSS in the silica gel matrix. In addition, thermal stability of the polymer hybrids from CubePOZO was much increased compared to that of the polymer hybrids from homoPCZO and POSS.

  DOI：

  10.1021/ma021303b

文献信息

• 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。
• Organic−Inorganic Polymer Hybrids Using Polyoxazoline Initiated by Functionalized Silsesquioxane
  作者：Kyung-Min Kim、Dong-Ki Keum、Yoshiki Chujo

  DOI：10.1021/ma021303b

  日期：2003.2.1

  New hybrid polyoxazolines (CubePOZO) were synthesized by ring-opening polymerization of 2-methyl-2-oxazoline initiated by functionalized polyhedral oligomeric silsesquioxane (POSS) with various feed ratios. The hybrid micelles derived from CubePOZO with both seven hydrophobic cyclopentyl groups of POSS and polyoxazoline (POZO) as a hydrophilic segment were prepared in an aqueous phase. Compared to POZO initiated by cyclohexyl iodide or methyl p-toluenesulfonate, increased hydrophobicity caused by the structure of POSS in CubePOZO played a major role in the micelle formation. This depended on the amount of POSS incorporated into the POZO. The CubePOZO100 and CubePOZO200 formed micelles in an aqueous phase with critical micelle concentrations (cmc) of 55 and 100 mg/L, respectively. Transparent polymer hybrids, homogeneous dispersion of hydrophobic POSS bonded covalently to POZO in the silica gel matrix at the molecular level, were obtained through hydrogen-bonding interaction between CubePOZO and silica gel. The obtained polymer hybrids from CubePOZO showed excellent solvent resistance, similar to that of polymer hybrids having an interpenetrating polymer network structure. It was concluded that the solvent-resistant property came from the size of POSS and the hydrophobic interaction between the POSS in the silica gel matrix. In addition, thermal stability of the polymer hybrids from CubePOZO was much increased compared to that of the polymer hybrids from homoPCZO and POSS.