hexakis(5-methyl-2-thienyl)benzene | 1023646-81-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: hexakis(5-methyl-2-thienyl)benzene
• 英文别名: 2-Methyl-5-[2,3,4,5,6-pentakis(5-methylthiophen-2-yl)phenyl]thiophene；2-methyl-5-[2,3,4,5,6-pentakis(5-methylthiophen-2-yl)phenyl]thiophene
• CAS: 1023646-81-2
• 化学式: C₃₆H₃₀S₆
• 分子量: 655.03
• InChiKey: SPEQTYZDFCOOBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  169
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  双(5-甲基-2-噻吩基)乙炔 在 rhodium(III) chloride 、 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 反应 24.0h， 以63%的产率得到hexakis(5-methyl-2-thienyl)benzene
  参考文献：
  名称：

  RhCl3/amine-catalyzed [2+2+2] cyclization of alkynes

  摘要：

  The RhCl3-3H(2)O/i-Pr2NEt-catalyzed [2+2+2] cyclotrimerization of alkynes has been achieved. The reaction can be widely used for various alkynes and provides tri- OF hexa-substituted benzenes regioselectively in high yields. The [2+2+2] cycloaddition of diynes and alkynes is also developed, and it affords benzene derivatives in moderate to high yields. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.03.079

文献信息

• Facile synthetic procedure for and electrochemical properties of hexa(2-thienyl)benzenes directed toward electroactive materials
  作者：Kenta Yoshida、Ichiro Morimoto、Koichi Mitsudo、Hideo Tanaka

  DOI：10.1016/j.tetlet.2008.02.069

  日期：2008.4

  In the presence of RhCl(3)center dot 3H(2)O and i-Pr(2)NEt, the cyclotrimerization of di(2-thienyl)acetylenes proceeded smoothly to afford hexa(2-thienyl)benzenes. CV analysis of the hexa(2-thienyl)benzenes showed that they may be useful as electroactive materials. (C) 2008 Elsevier Ltd. All rights reserved.