Octa(1-hexylsilsesquioxane) | 5821-15-8

• 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: Octa(1-hexylsilsesquioxane)
• 英文别名: 1,3,5,7,9,11,13,15-Octahexyl-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: 5821-15-8
• 化学式: C₄₈H₁₀₄O₁₂Si₈
• 分子量: 1098.03
• InChiKey: KJHHEPLYJMCKBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.41
• 重原子数：
  68
• 可旋转键数：
  40
• 环数：
  6.0
• 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

反应信息

• 作为反应物：
  描述：

  Octa(1-hexylsilsesquioxane) 在 氢氧化钾 作用下， 以 乙醇 、 苯 为溶剂， 反应 3.5h， 生成 1,3,5,7,9,11,14,17-Octahexyl-5,11,14,17-tetrakis-trimethylsilanyloxy-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasila-tricyclo[7.3.3.3^3,7]octadecane
  参考文献：
  名称：

  Izmailov, B. A.; Zhdanov, A. A., Journal of General Chemistry of the USSR, 1982, vol. 52, # 3, p. 562 - 565

  摘要：

  DOI：
• 作为产物：
  描述：

  1-己烯 、 alkaline earth salt of/the/ methylsulfuric acid 在 dihydrogen hexachloroplatinate 作用下， 以 异丙醇 为溶剂， 反应 5.0h， 以90%的产率得到Octa(1-hexylsilsesquioxane)
  参考文献：
  名称：

  多面体有机倍半硅氧烷的新合成途径

  摘要：

  六氯铂酸催化八（氢化硅倍半硅氧烷）对亚甲基环己烷和己烯-1-烯进行氢硅化是制备多面体有机基倍半硅氧烷的一条新途径。达到了八（环己基甲基倍半硅氧烷）的定量收率。该反应打开了广阔的多面体倍半硅氧烷的未知领域。

  DOI：

  10.1002/hlca.19910740105

文献信息

• X-ray Crystal Structures, Packing Behavior, and Thermal Stability Studies of a Homologous Series of <i>n</i>-Alkyl-Substituted Polyhedral Oligomeric Silsesquioxanes
  作者：Youssef El Aziz、Alan R. Bassindale、Peter G. Taylor、Richard A. Stephenson、Michael B. Hursthouse、Ross W. Harrington、William Clegg

  DOI：10.1021/ma302229v

  日期：2013.2.12

  The homologous series of octa-n-alkylsilsesquioxanes (n-alkylPOSS) was prepared by hydrosilylation of octahydrido-octasilses-quioxane H8T8 with terminal n-alkenes in good yields (n = 2-18). The compounds were characterized by NMR spectroscopy (H-1, C-13, Si-29), MALDI-TOF and ESI MS. Most of them have also been characterized using X-ray crystallography, including some polymorphs. The packing systems of the octa-n-alkylsilsesquioxanes are reported. Two types of packing have been observed, rod-like and disk-like (interdigitated). Some n-alkylPOSS crystals were formed in which the chains are tilted away from the axes of the cubic core. It was also observed that as alkyl-chains are flexible they can take up a variety of conformations. Melting points of the homologous series showed an odd-even alternating effect for alkyl chains longer than four CH2 units. The TGA of n-alkylPOSS under nitrogen showed that the thermal stability temperatures are between 200 and 400 degrees C. Pyrolysis-gas chromatography/mass spectrometry has been used to elucidate the thermal degradation process of T-8(n-CnH2n+1)(8) (n = 11 and 18). Thermal cracking along the whole alkyl chain was observed rather than simple loss of the complete arm.