2-(4-methoxyphenyl)-5-(4-methylphenyl)-3-hexylthiophene | 1250258-70-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-methoxyphenyl)-5-(4-methylphenyl)-3-hexylthiophene
• 英文别名: 3-hexyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)thiophene
• CAS: 1250258-70-8
• 化学式: C₂₄H₂₈OS
• 分子量: 364.552
• InChiKey: LFZABOLRHYTLAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  37.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-己基噻吩 在 palladium diacetate 、 特戊酸钠 、 potassium carbonate 、 lithium tert-butoxide 、 三环己基膦 作用下， 以 N,N-二甲基乙酰胺 、 N,N-二甲基甲酰胺 为溶剂， 反应 40.0h， 生成 2-(4-methoxyphenyl)-5-(4-methylphenyl)-3-hexylthiophene
  参考文献：
  名称：

  C-H Arylation of 3-Substituted Thiophene with Regioselective Deprotonation by TMPMgCl·LiCl and Transition Metal Catalyzed Cross Coupling

  摘要：

  The reaction of 3-hexylthiophene with Knochel-Hauser base (TMPMgCl center dot LiCl) induced the metalation at the 5-position of the thiophene ring selectively. Following addition of several aryl halides in the presence of a nickel or palladium catalyst afforded regioselectively arylated thiophene in good to excellent yields.

  DOI：

  10.3987/com-12-s(n)6

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
• C-H Arylation of 3-Substituted Thiophene with Regioselective Deprotonation by TMPMgCl·LiCl and Transition Metal Catalyzed Cross Coupling
  作者：Atsunori Mori、Shunsuke Tamba、Atsushi Sugie、Shota Tanaka

  DOI：10.3987/com-12-s(n)6

  日期：——

  The reaction of 3-hexylthiophene with Knochel-Hauser base (TMPMgCl center dot LiCl) induced the metalation at the 5-position of the thiophene ring selectively. Following addition of several aryl halides in the presence of a nickel or palladium catalyst afforded regioselectively arylated thiophene in good to excellent yields.