5-(4-trifluoromethylphenyl)-3-hexylthiophene | 1452862-75-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(4-trifluoromethylphenyl)-3-hexylthiophene
• 英文别名: 2-[4-(Trifluoromethyl)phenyl]-4-hexylthiophene；4-hexyl-2-[4-(trifluoromethyl)phenyl]thiophene
• CAS: 1452862-75-7
• 化学式: C₁₇H₁₉F₃S
• 分子量: 312.399
• InChiKey: OVANMAIQLRTANB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-己基噻吩 、 对溴三氟甲苯 在 2,2,6,6-tetramethylpiperidinylmagnesium chloride lithium chloride complex 、 [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以88%的产率得到5-(4-trifluoromethylphenyl)-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.