Acetic acid 9,13,16-triacetoxy-11,14-dibromo-2,7-bis-(2-butoxy-ethoxy)-phenanthro[3,4-c]phenanthren-12-yl ester | 186133-23-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: Acetic acid 9,13,16-triacetoxy-11,14-dibromo-2,7-bis-(2-butoxy-ethoxy)-phenanthro[3,4-c]phenanthren-12-yl ester
• CAS: 186133-23-3
• 化学式: C₄₆H₄₆Br₂O₁₂
• 分子量: 950.672
• InChiKey: UPYUEGPQZMOXAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.07
• 重原子数：
  60.0
• 可旋转键数：
  18.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  142.12
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  Acetic acid 9,13,16-triacetoxy-11,14-dibromo-2,7-bis-(2-butoxy-ethoxy)-phenanthro[3,4-c]phenanthren-12-yl ester 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 Acetic acid 13-acetoxy-11,14-dibromo-2,7-bis-(2-butoxy-ethoxy)-9,16-dihydroxy-phenanthro[3,4-c]phenanthren-12-yl ester
  参考文献：
  名称：

  Dai, Yujia; Katz, Thomas J.; Nichols, David A., Angewandte Chemie, 1996, vol. 108, # 18, p. 2230 - 2232

  摘要：

  DOI：
• 作为产物：
  描述：

  1,4,13,16-tetrahydro-1,4,13,16-tetraoxo-6,11-bis(2-butoxyethoxy)[6]helicene 在 sodium dithionite 、 四丁基溴化铵 、 氢溴酸 、 四氯苯醌 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 Acetic acid 9,13,16-triacetoxy-11,14-dibromo-2,7-bis-(2-butoxy-ethoxy)-phenanthro[3,4-c]phenanthren-12-yl ester
  参考文献：
  名称：

  Dai, Yujia; Katz, Thomas J.; Nichols, David A., Angewandte Chemie, 1996, vol. 108, # 18, p. 2230 - 2232

  摘要：

  DOI：

文献信息

• Synthesis of Helical Conjugated Ladder Polymers
  作者：Yujia Dai、Thomas J. Katz

  DOI：10.1021/jo9622284

  日期：1997.3.1

  The synthesis is described of the first helical ladder polymers with unbroken pathways of conjugation that extend not only through each monomeric unit, but between them as well. The key step is the condensation of 1,2-phenylenediamine and a transition metal salt with a helicene having salicylaldehyde's functionality at both ends. This gives rise to ''metal salophen'' units that bind adjacent helicenes, provide conjugated links from one ring system to the next, and constrain the p-orbitals of the rings they unite to be nearly parallel. Because the helicene monomers are enantiopure, so too are the polymeric structures to which they give rise. One of the polymers (6) winds continuously in only one direction. Another (4a) winds in one direction through the helicene moieties and in the other direction through the metal-salophens. The circular dichroisms of the former at wavelengths near 600 nm are notably large. The corresponding circular dichroisms of the latter are much smaller. MALDI-TOF mass spectra provide particularly strong evidence for the structures assigned. The polymers are very soluble in a variety of organic solvents and seem to have number average molecular weights of ca. 7000.