ethyl 4-(5-ethylthiophen-2-yl)benzoate | 1312762-37-0

• 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: ethyl 4-(5-ethylthiophen-2-yl)benzoate
• 英文别名: Ethyl 4-(5-ethylthiophen-2-yl)benzoate
• CAS: 1312762-37-0
• 化学式: C₁₅H₁₆O₂S
• 分子量: 260.357
• InChiKey: QLEXLKVDBAFYTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-乙基噻吩 、 4-溴苯甲酸乙酯 在 cesium acetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以85%的产率得到ethyl 4-(5-ethylthiophen-2-yl)benzoate
  参考文献：
  名称：

  钯盐和功能性还原型氧化石墨烯络合物：原位制备通常用于CC偶联反应的催化剂†

  摘要：

  一种新颖的钯催化剂是通过得到的Pd设计2+官能还原的石墨烯氧化物（FRGO）的表面上的盐，提供了一个新的廉价和稳定在原位对C-C偶联反应，包括Heck反应制备的钯催化剂，Suzuki反应，噻吩的C–H键官能化反应以及末端炔烃C–H活化和均偶联。

  DOI：

  10.1039/c5ra10585d

文献信息

• Palladium/2,2′-bipyridyl/Ag2CO3 catalyst for C–H bond arylation of heteroarenes with haloarenes
  作者：Shuichi Yanagisawa、Kenichiro Itami

  DOI：10.1016/j.tet.2011.03.093

  日期：2011.6

  Pd/bipy-based catalytic system for the C–H bond arylation of heteroarenes with haloarenes is described. The complex PdBr2(bipy)·DMSO, whose structure was unambiguously determined by X-ray crystallography, turned out to be a general catalyst precursor for the process. The reaction is applicable to a range of electron-rich five-membered heteroarenes, such as thiophenes, thiazoles, benzofurans, and indoles

  描述了一种基于Pd / Bipy的催化体系，用于杂芳烃与卤代芳烃的CH键芳基化。复杂的PdBr 2（bipy）·DMSO，其结构通过X射线晶体学明确确定，事实证明是该方法的一般催化剂前体。该反应适用于一系列富电子的五元杂芳烃，例如噻吩，噻唑，苯并呋喃和吲哚。
• In site preparation of Pd(II)–MoS2 complex: A new high-efficiency catalyst for alkenylation of heteroaromatics by direct CH bond activation
  作者：Sheng Wang、Guoqing Deng、Jiangjiang Gu、Wenwen Hua、Xudong Jia、Kai Xi

  DOI：10.1016/j.apcata.2015.10.014

  日期：2015.11

  Pd(II)-MoS2 catalyst was designed by affording Pd2+ salt on the surface of single-layered molybdenum disulfide nanosheets.. Based on the dispersible template, this metal salt and molybdenum disulfide complex offered several advantages, including easy preparation, low cost, and capability to prepare excellent dispersible metal ion cluster nanostructures. The application of this complex in alkenylation of heteroaromatics was reported. Direct C-H activation of indoles, furans and thiophenes was carried out to combine with several kinds of terminal olefins. This catalyst also performed high efficiency in several other kinds of coupling reactions. Thus, a universal suitable catalyst for C-H activation and CC bond formation was invented by a convenient in situ preparation. (C) 2015 Elsevier B.V. All rights reserved.