1,3,5,7,9,11,13,15-Octaoctadecyl-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 | 154346-59-5

• 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: 1,3,5,7,9,11,13,15-Octaoctadecyl-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
• 英文别名: 1,3,5,7,9,11,13,15-octaoctadecyl-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: 154346-59-5
• 化学式: C₁₄₄H₂₉₆O₁₂Si₈
• 分子量: 2444.61
• InChiKey: PHTHLQUQPHLPIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  53.86
• 重原子数：
  164
• 可旋转键数：
  136
• 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

• 作为产物：
  描述：

  十八碳烯 在 dihydrogen hexachloroplatinate 、 octasilsesquioxane 作用下， 以 异丙醇 为溶剂， 生成 1,3,5,7,9,11,13,15-Octaoctadecyl-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
  参考文献：
  名称：

  Linear Long Alkyl Chain Substituted POSS Cages: The Effect of Alkyl Chain Length on the Self-Assembled Packing Morphology

  摘要：

  The self-assembled long-range ordering, packing morphology and thermal behavior of a series of polyhedral oligomeric silsesquioxanes (POSS) T-8 cage systems with long n-alkyl chain pendant groups is presented. State-of-the-art time-resolved small- and wide-angle X-ray scattering (SAXS/WAXS), thermal and optical techniques were used to elucidate their morphology. X-ray scattering showed long-range crystalline ordering where the alkyl chains align in an axial disposition from the POSS core giving a "rod-like" self-assembled packing morphology with a length-scale correlating to the overall molecular dimensions. Phase transitions observed by thermal methods were comparable to those seen in the crystallization of bulk n-alkanes. Optical measurements and crystallization kinetics confirmed a lamellar macromorphology again being similar to the crystal structure of bulk n-alkanes. This study reveals for the first time, the direct effect that the alkyl chain length has on the self-assembled crystalline packing morphology of this novel and potentially commercially relevant, series of POSS systems.

  DOI：

  10.1021/ma400635e

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.
• Linear Long Alkyl Chain Substituted POSS Cages: The Effect of Alkyl Chain Length on the Self-Assembled Packing Morphology
  作者：Ellen L. Heeley、Darren J. Hughes、Youssef El Aziz、Peter G. Taylor、Alan R. Bassindale

  DOI：10.1021/ma400635e

  日期：2013.6.25

  The self-assembled long-range ordering, packing morphology and thermal behavior of a series of polyhedral oligomeric silsesquioxanes (POSS) T-8 cage systems with long n-alkyl chain pendant groups is presented. State-of-the-art time-resolved small- and wide-angle X-ray scattering (SAXS/WAXS), thermal and optical techniques were used to elucidate their morphology. X-ray scattering showed long-range crystalline ordering where the alkyl chains align in an axial disposition from the POSS core giving a "rod-like" self-assembled packing morphology with a length-scale correlating to the overall molecular dimensions. Phase transitions observed by thermal methods were comparable to those seen in the crystallization of bulk n-alkanes. Optical measurements and crystallization kinetics confirmed a lamellar macromorphology again being similar to the crystal structure of bulk n-alkanes. This study reveals for the first time, the direct effect that the alkyl chain length has on the self-assembled crystalline packing morphology of this novel and potentially commercially relevant, series of POSS systems.