Diethyl 4,4'-((3,6,10,11-tetrakis(pentyloxy)triphenylene-2,7-diyl)bis(oxy))dibutanoate | 1155814-14-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: Diethyl 4,4'-((3,6,10,11-tetrakis(pentyloxy)triphenylene-2,7-diyl)bis(oxy))dibutanoate
• 英文别名: ethyl 4-[7-(4-ethoxy-4-oxobutoxy)-3,6,10,11-tetrapentoxytriphenylen-2-yl]oxybutanoate
• CAS: 1155814-14-4
• 化学式: C₅₀H₇₂O₁₀
• 分子量: 833.116
• InChiKey: HJYGFXKAYJDLQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  60
• 可旋转键数：
  34
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  Diethyl 4,4'-((3,6,10,11-tetrakis(pentyloxy)triphenylene-2,7-diyl)bis(oxy))dibutanoate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以59%的产率得到4,4'-[3,6,10,11-tetrakis(pentyloxy)triphenylene-2,7-diylbis(oxy)]dibutan-1-ol
  参考文献：
  名称：

  Synthesis and Characterization of Triphenylene Derivatives Containing Two Terminal Functional Groups at the Periphery

  摘要：

  Three novel series of triphenylene-based derivatives possessing functional group (ester, carboxylic acid, or hydroxy) at the ends of two aliphatic chains on the opposite position of triphenylene core have been synthesized and studied on mesomorphic properties. Their chemical structures were characterized by FT-IR, H-1-NMR, C-13-NMR, MS, and the thermotropic liquid crystalline properties were also investigated by polarizing optical microscopy, differential scanning calorimetry, and X-ray diffraction. It is found that the triphenylene derivatives containing terminal carboxylic acid or hydroxyl chains in the series of 9 or 10 show themortropic columnar mesophase, while the corresponding derivatives possessing terminal esters don't show any mesomorphism.

  DOI：

  10.1080/15421400801915084
• 作为产物：
  描述：

  4-溴丁酸乙酯 、 3,6,10,11-四(正戊氧基)三亚苯基-2,7-二醇 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 生成 Diethyl 4,4'-((3,6,10,11-tetrakis(pentyloxy)triphenylene-2,7-diyl)bis(oxy))dibutanoate
  参考文献：
  名称：

  Synthesis and Characterization of Triphenylene Derivatives Containing Two Terminal Functional Groups at the Periphery

  摘要：

  Three novel series of triphenylene-based derivatives possessing functional group (ester, carboxylic acid, or hydroxy) at the ends of two aliphatic chains on the opposite position of triphenylene core have been synthesized and studied on mesomorphic properties. Their chemical structures were characterized by FT-IR, H-1-NMR, C-13-NMR, MS, and the thermotropic liquid crystalline properties were also investigated by polarizing optical microscopy, differential scanning calorimetry, and X-ray diffraction. It is found that the triphenylene derivatives containing terminal carboxylic acid or hydroxyl chains in the series of 9 or 10 show themortropic columnar mesophase, while the corresponding derivatives possessing terminal esters don't show any mesomorphism.

  DOI：

  10.1080/15421400801915084

文献信息

• Synthesis and Characterization of Triphenylene Derivatives Containing Two Terminal Functional Groups at the Periphery
  作者：W. Wan、P. Y. Wang、H. Zh. Jiang、J. Hao

  DOI：10.1080/15421400801915084

  日期：2008.3.20

  Three novel series of triphenylene-based derivatives possessing functional group (ester, carboxylic acid, or hydroxy) at the ends of two aliphatic chains on the opposite position of triphenylene core have been synthesized and studied on mesomorphic properties. Their chemical structures were characterized by FT-IR, H-1-NMR, C-13-NMR, MS, and the thermotropic liquid crystalline properties were also investigated by polarizing optical microscopy, differential scanning calorimetry, and X-ray diffraction. It is found that the triphenylene derivatives containing terminal carboxylic acid or hydroxyl chains in the series of 9 or 10 show themortropic columnar mesophase, while the corresponding derivatives possessing terminal esters don't show any mesomorphism.