9,10-dimethyl-2,3,6,7,14,15-hexamethoxy-9,10-[1',2']benzenoanthracene | 865539-65-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 9,10-dimethyl-2,3,6,7,14,15-hexamethoxy-9,10-[1',2']benzenoanthracene
• 英文别名: 9,10-dimethyl-2,3,6,7,14,15-hexamethoxy-9,10-[1'2']benzoanthracene；4,5,11,12,17,18-Hexamethoxy-1,8-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene；4,5,11,12,17,18-hexamethoxy-1,8-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
• CAS: 865539-65-7
• 化学式: C₂₈H₃₀O₆
• 分子量: 462.543
• InChiKey: UOVICBWJTMUYNX-UHFFFAOYSA-N

物化性质

• 沸点：
  551.7±50.0 °C(Predicted)
• 密度：
  1.198±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  9,10-dimethyl-2,3,6,7,14,15-hexamethoxy-9,10-[1',2']benzenoanthracene 在 亚硝鎓六氯锑酸盐 作用下， 以 二氯甲烷 为溶剂， 生成 C₂₈H₃₀O₆⁽¹⁺⁾*Cl₆Sb^(1-)
  参考文献：
  名称：

  X-ray Structural Characterization of Charge Delocalization onto the Three Equivalent Benzenoid Rings in Hexamethoxytriptycene Cation Radical

  摘要：

  Definitive X-ray crystallographic evidence is obtained for a single hole (or a polaron) to be uniformly distributed on the three equivalent 1,2-dimethoxybenzenoid (or veratrole) rings in the hexamethoxytriptycene cation radical. This conclusion is further supported by electrochemical analysis and by the observation of an intense near-IR transition in its electronic spectrum, as well as by comparison of the spectral and electrochemical characteristics with the model compounds containing one and two dimethoxybenzene rings.

  DOI：

  10.1021/ol900558s
• 作为产物：
  描述：

  邻苯二甲醚 在 硫酸 、 methyloxirane 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 生成 9,10-dimethyl-2,3,6,7,14,15-hexamethoxy-9,10-[1',2']benzenoanthracene
  参考文献：
  名称：

  本征微孔性的基于三萜烯的聚合物：可以针对气体吸附量身定制的有机材料

  摘要：

  我们报告了固有的微孔性（network-PIMs）网络聚合物的合成和性质，该聚合物来自具有连接至其桥头位置的烷基的三茂基单体。可以通过烷基链的长度和支链来控制气体的吸附，从而使材料的表观BET表面积可以在618-1760 m 2 g -1的范围内进行调整。。较短的（例如甲基）或支链的（例如异丙基）烷基链提供了最大的微孔性，而较长的烷基链似乎阻止了由刚性有机骨架产生的微孔。与其他PIM相比，增强的微孔性源自骨架的大分子形状，这是由三萜烯单元决定的，这有助于减少刚性骨架的延伸平面支柱之间的分子间接触，从而降低了填充在骨架内的效率。坚硬的。对于具有低或中等压力（在1 bar / 77K下为1.83质量％；在18 bar / 77 K下为3.4质量％）的纯有机材料，具有甲基或异丙基取代基的三茂基PIM的氢吸附能力是最高的。 ）。

  DOI：

  10.1021/ma100640m

文献信息

• A Highly Efficient Approach to [4]Pseudocatenanes by Threefold Metathesis Reactions of a Triptycene-Based Tris[2]pseudorotaxane
  作者：Xiao-Zhang Zhu、Chuan-Feng Chen

  DOI：10.1021/ja0546020

  日期：2005.9.28

  A triptycene-based homotritopic host was designed and synthesized. Assembly of the host with a bisbenzylammonium salt containing terminal double bonds resulted in a tris[2]pseudorotaxane, which further performed the threefold metathesis reaction and then hydrogenation to give a [4]pseudocatenane in high yield. The [4]pseudocatenane exhibited a novel topological structure with high symmetry, which was confirmed by the spectral data and X-ray analysis.
• Triptycene-Based Polymers of Intrinsic Microporosity: Organic Materials That Can Be Tailored for Gas Adsorption
  作者：Bader S. Ghanem、Mohammed Hashem、Kenneth D. M. Harris、Kadhum J. Msayib、Mingcan Xu、Peter M. Budd、Nhamo Chaukura、David Book、Steven Tedds、Allan Walton、Neil B. McKeown

  DOI：10.1021/ma100640m

  日期：2010.6.22

  report the synthesis and properties of network polymers of intrinsic microporosity (network−PIMs) derived from triptycene monomers that possess alkyl groups attached to their bridgehead positions. Gas adsorption can be controlled by the length and branching of the alkyl chains so that the apparent BET surface area of the materials can be tuned within the range 618−1760 m2 g−1. Shorter (e.g., methyl) or branched

  我们报告了固有的微孔性（network-PIMs）网络聚合物的合成和性质，该聚合物来自具有连接至其桥头位置的烷基的三茂基单体。可以通过烷基链的长度和支链来控制气体的吸附，从而使材料的表观BET表面积可以在618-1760 m 2 g -1的范围内进行调整。。较短的（例如甲基）或支链的（例如异丙基）烷基链提供了最大的微孔性，而较长的烷基链似乎阻止了由刚性有机骨架产生的微孔。与其他PIM相比，增强的微孔性源自骨架的大分子形状，这是由三萜烯单元决定的，这有助于减少刚性骨架的延伸平面支柱之间的分子间接触，从而降低了填充在骨架内的效率。坚硬的。对于具有低或中等压力（在1 bar / 77K下为1.83质量％；在18 bar / 77 K下为3.4质量％）的纯有机材料，具有甲基或异丙基取代基的三茂基PIM的氢吸附能力是最高的。 ）。
• X-ray Structural Characterization of Charge Delocalization onto the Three Equivalent Benzenoid Rings in Hexamethoxytriptycene Cation Radical
  作者：Vincent J. Chebny、Tushar S. Navale、Ruchi Shukla、Sergey V. Lindeman、Rajendra Rathore

  DOI：10.1021/ol900558s

  日期：2009.6.4

  Definitive X-ray crystallographic evidence is obtained for a single hole (or a polaron) to be uniformly distributed on the three equivalent 1,2-dimethoxybenzenoid (or veratrole) rings in the hexamethoxytriptycene cation radical. This conclusion is further supported by electrochemical analysis and by the observation of an intense near-IR transition in its electronic spectrum, as well as by comparison of the spectral and electrochemical characteristics with the model compounds containing one and two dimethoxybenzene rings.