bis(8-(3-methoxy-6,7,10,11-tetrapentyloxy triphenylen-2-yloxy)octyloxy)dibenzo-18-crown-6 | 1344730-88-6

• 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: bis(8-(3-methoxy-6,7,10,11-tetrapentyloxy triphenylen-2-yloxy)octyloxy)dibenzo-18-crown-6
• 英文别名: 11,25-Bis[8-(3-methoxy-6,7,10,11-tetrapentoxytriphenylen-2-yl)oxyoctyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene；11,25-bis[8-(3-methoxy-6,7,10,11-tetrapentoxytriphenylen-2-yl)oxyoctyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
• CAS: 1344730-88-6
• 化学式: C₁₁₄H₁₆₀O₁₈
• 分子量: 1818.51
• InChiKey: RKNXCUNZTOPJOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  32.6
• 重原子数：
  132
• 可旋转键数：
  62
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  166
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  (8-bromooctyl)dibenzo-18-crown-6 、 2-Hydroxy-3-methoxy-6,7,10,11-tetrapentyloxytriphenylene 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 12.0h， 生成 bis(8-(3-methoxy-6,7,10,11-tetrapentyloxy triphenylen-2-yloxy)octyloxy)dibenzo-18-crown-6
  参考文献：
  名称：

  The Synthesis and Mesophases Studies of a Novel Discotic Compound Containing Two Triphenylene Cores Linked by Crown Ether

  摘要：

  In this study, a novel discotic compound based on triphenylene core were synthesized. 6,7,10,11-tetrapentyloxy-2-hydroxy-3-methoxy triphenylene was synthesized via the common synthisis route including the Williamson Etherification of catechol, the iodination of 1,2-dipentyloxybenzene, the Ullman Coupling and the coupling of 3,3'-4,4'-tetrapentyloxy diphenyl and methoxy-phenol;Bis-(8-bromooctanoyl)-dibenzo-18-crown-6 was obtained from 8-bromooctanoic acid and dibenzo-18-crown-6 in polyphosphoric acid and then reacted in Et3SiH with trifluoroacetic acid as catalyst to obtain bis-(8-bromooctyl)-dibenzo-18-crown-6. Bis-(8-bromooctyl)-dibenzo-18-crown-6 reacted with 6,7,10,11-tetrapentyloxy-2-hydroxy-3-methoxy triphenylene via Williamson reaction to produce the goal product. The chemical structures of the compounds were identified by using fourier transform infrared spectroscopy, nuclear magnetic resonance and the thermal properties were characterized by optical polarizing microscope and differential scanning calorimeter.

  DOI：

  10.1080/15421406.2011.570129

文献信息

• The Synthesis and Mesophases Studies of a Novel Discotic Compound Containing Two Triphenylene Cores Linked by Crown Ether
  作者：Chunxiu Zhang、Jialing Pu、Hao Wu、Shudan Cheng、Rui Zhang、A. Zhagn、Mingxia Zhang

  DOI：10.1080/15421406.2011.570129

  日期：2011.6.30

  In this study, a novel discotic compound based on triphenylene core were synthesized. 6,7,10,11-tetrapentyloxy-2-hydroxy-3-methoxy triphenylene was synthesized via the common synthisis route including the Williamson Etherification of catechol, the iodination of 1,2-dipentyloxybenzene, the Ullman Coupling and the coupling of 3,3'-4,4'-tetrapentyloxy diphenyl and methoxy-phenol;Bis-(8-bromooctanoyl)-dibenzo-18-crown-6 was obtained from 8-bromooctanoic acid and dibenzo-18-crown-6 in polyphosphoric acid and then reacted in Et3SiH with trifluoroacetic acid as catalyst to obtain bis-(8-bromooctyl)-dibenzo-18-crown-6. Bis-(8-bromooctyl)-dibenzo-18-crown-6 reacted with 6,7,10,11-tetrapentyloxy-2-hydroxy-3-methoxy triphenylene via Williamson reaction to produce the goal product. The chemical structures of the compounds were identified by using fourier transform infrared spectroscopy, nuclear magnetic resonance and the thermal properties were characterized by optical polarizing microscope and differential scanning calorimeter.