1,4-bis[5-(10-dimethylaminodecyl)-2-(trimethylsilylethynyl)-3-thienyl]benzene | 957767-26-9

• 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: 1,4-bis[5-(10-dimethylaminodecyl)-2-(trimethylsilylethynyl)-3-thienyl]benzene
• 英文别名: 10-[4-[4-[5-[10-(dimethylamino)decyl]-2-(2-trimethylsilylethynyl)thiophen-3-yl]phenyl]-5-(2-trimethylsilylethynyl)thiophen-2-yl]-N,N-dimethyldecan-1-amine
• CAS: 957767-26-9
• 化学式: C₄₈H₇₆N₂S₂Si₂
• 分子量: 801.448
• InChiKey: NJEGOJRHXONARG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.05
• 重原子数：
  54
• 可旋转键数：
  28
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  63
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,4-bis[5-(10-iododecyl)-2-(trimethylsilylethynyl)-3-thienyl]benzene 、 二甲胺 以 四氢呋喃 为溶剂， 反应 50.0h， 以0.295 g的产率得到1,4-bis[5-(10-dimethylaminodecyl)-2-(trimethylsilylethynyl)-3-thienyl]benzene
  参考文献：
  名称：

  Preparation of 1,4-bis(2-ethynyl-3-thienyl)benzenes as versatile spacers for connection of heterocycles

  摘要：

  Iodination of 1,4-di(3-thienyl)benzene gave 1,4-bis(2-iodo-3-thienyl)benzene, which was converted to 1,4-bis(2-ethynyl-3-thienyl)benzene. Novel 1,4-bis[2-(pyridylethynyl)-3-thienyl]benzene ligands containing the bis(ethynylthienyl)benzene spacer were prepared by Sonogashira reaction. Advantage of the spacer was demonstrated by introducing functionalized alkyl groups to the 5-position of the thiciphene ring of 1,4-bisl2-(trialkylsilylethynyl)-3-thienyl]benzene.

  DOI：

  10.1016/s0385-5414(07)81098-7

文献信息

• Preparation of 1,4-bis(2-ethynyl-3-thienyl)benzenes as versatile spacers for connection of heterocycles
  作者：K TOYOTA、Y GOTO、K OKADA、N MORITA

  DOI：10.1016/s0385-5414(07)81098-7

  日期：2007.10.1

  Iodination of 1,4-di(3-thienyl)benzene gave 1,4-bis(2-iodo-3-thienyl)benzene, which was converted to 1,4-bis(2-ethynyl-3-thienyl)benzene. Novel 1,4-bis[2-(pyridylethynyl)-3-thienyl]benzene ligands containing the bis(ethynylthienyl)benzene spacer were prepared by Sonogashira reaction. Advantage of the spacer was demonstrated by introducing functionalized alkyl groups to the 5-position of the thiciphene ring of 1,4-bisl2-(trialkylsilylethynyl)-3-thienyl]benzene.