5-(4-methoxyphenyl)-3-hexylthiophene | 1335047-18-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(4-methoxyphenyl)-3-hexylthiophene
• 英文别名: 4-Hexyl-2-(4-methoxyphenyl)thiophene；4-hexyl-2-(4-methoxyphenyl)thiophene
• CAS: 1335047-18-1
• 化学式: C₁₇H₂₂OS
• 分子量: 274.427
• InChiKey: OQOBSNADUMYDHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 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 、 4-氯苯甲醚 在 2,2,6,6-tetramethylpiperidinylmagnesium chloride lithium chloride complex 、 (1,1'-双(二苯基膦)二茂铁)二氯化镍 作用下， 以 四氢呋喃 为溶剂， 反应 23.0h， 以90%的产率得到5-(4-methoxyphenyl)-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

• 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.