3,6,11-trimethoxy-13,13-dimethyl-13H-indeno[1,2-l]phenanthrene | 1367363-67-4

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 3,6,11-trimethoxy-13,13-dimethyl-13H-indeno[1,2-l]phenanthrene
• CAS: 1367363-67-4
• 化学式: C₂₆H₂₄O₃
• 分子量: 384.475
• InChiKey: ZAZUSYGQUFQIAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.33
• 重原子数：
  29.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  1-(3-羟基-3-甲基丁-1-炔基)-4-甲氧基苯 在 iron(III) chloride 、 四(三苯基膦)钯 、 碘 、 potassium carbonate 作用下， 以 乙醇 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 8.0h， 生成 3,6,11-trimethoxy-13,13-dimethyl-13H-indeno[1,2-l]phenanthrene
  参考文献：
  名称：

  Synthesis of 2,3-diiodoindenes and their applications in construction of 13H-indeno[1,2-l]phenanthrenes

  摘要：

  A series of 2,3-diiodoindene were synthesized at first, and 13H-indeno[1,2-l]phenanthrenes were then constructed via a Suzuki coupling reaction and subsequently a Scholl reaction. Structures of synthesized compounds were fully characterized by H-1 NMR, C-13 NMR, and HRMS. Their photophysical properties, such as UV-vis and FL spectra were investigated, and electronic properties were theoretically calculated by the software of Gaussian 03. The results suggested that these modified indene and indenophenanthrene compounds might have potential applications as light emitting materials. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.01.093