3'-hexyl-5'-(4''-methoxyphenyl)-5-methyl-[2,2']bithiophene | 1250258-68-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 3'-hexyl-5'-(4''-methoxyphenyl)-5-methyl-[2,2']bithiophene
• 英文别名: 3-Hexyl-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)thiophene
• CAS: 1250258-68-4
• 化学式: C₂₂H₂₆OS₂
• 分子量: 370.58
• InChiKey: JKSUMJISMPERRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  65.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-甲基噻吩 、 2-bromo-3-hexyl-5-(4-methoxyphenyl)thiophene 在 二(三叔丁基膦)钯 、 lithium tert-butoxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 以60%的产率得到3'-hexyl-5'-(4''-methoxyphenyl)-5-methyl-[2,2']bithiophene
  参考文献：
  名称：

  Palladium-Catalyzed C−H Functionalization of Heteroarenes with Aryl Bromides and Chlorides

  摘要：

  Palladrum-catalyzed C-H arylation of election-enriched heteroarenes with aryl bromides and aryl chlorides proceeds in the presence of LiO-i-Bu as a base The reaction allows one-pot synthesis of differently substituted 2.5-diarylthiazole with the same catalyst system by switching the solvent and the amount of base

  DOI：

  10.1021/jo101433g

文献信息

• Palladium-Catalyzed C−H Functionalization of Heteroarenes with Aryl Bromides and Chlorides
  作者：Shunsuke Tamba、Youhei Okubo、Shota Tanaka、Daiki Monguchi、Atsunori Mori

  DOI：10.1021/jo101433g

  日期：2010.10.15

  Palladrum-catalyzed C-H arylation of election-enriched heteroarenes with aryl bromides and aryl chlorides proceeds in the presence of LiO-i-Bu as a base The reaction allows one-pot synthesis of differently substituted 2.5-diarylthiazole with the same catalyst system by switching the solvent and the amount of base