1,1'-(4,4'-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-diyl)bis(4,1-phenylene))bis(2,2,2-trifluoroethanone) | 1313877-81-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1'-(4,4'-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-diyl)bis(4,1-phenylene))bis(2,2,2-trifluoroethanone)
• 英文别名: 2,2,2-Trifluoro-1-[4-[5-[4-(2,2,2-trifluoroacetyl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]ethanone
• CAS: 1313877-81-4
• 化学式: C₂₂H₁₂F₆O₄S
• 分子量: 486.391
• InChiKey: NVIIDABPWIKGHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  80.8
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  4'-溴-2,2,2-三氟苯乙酮 、 3,4-乙烯二氧噻吩 在 palladium diacetate 、 caesium carbonate 、 三(间甲苯基)膦 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以83%的产率得到1,1'-(4,4'-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-diyl)bis(4,1-phenylene))bis(2,2,2-trifluoroethanone)
  参考文献：
  名称：

  Efficient Synthesis of 3,4-Ethylenedioxythiophene (EDOT)-Based Functional π-Conjugated Molecules through Direct C–H Bond Arylations

  摘要：

  A variety of 3,4-ethylenedioxythiophene (EDOT)-based pi-conjugated molecules were efficiently synthesized in good yields through Pd-catalyzed direct C-H bond arylations, wherein a detailed synthetic investigation, including the screening of various kinds of palladium catalysts, ligands, additives, and solvents, was carried out. In addition, the spectroscopic and electrochemical properties of these EDOT-containing molecules were also investigated.

  DOI：

  10.1021/ol201571u

文献信息

• Efficient Synthesis of 3,4-Ethylenedioxythiophene (EDOT)-Based Functional π-Conjugated Molecules through Direct C–H Bond Arylations
  作者：Ching-Yuan Liu、Haichao Zhao、Hsiao-hua Yu

  DOI：10.1021/ol201571u

  日期：2011.8.5

  A variety of 3,4-ethylenedioxythiophene (EDOT)-based pi-conjugated molecules were efficiently synthesized in good yields through Pd-catalyzed direct C-H bond arylations, wherein a detailed synthetic investigation, including the screening of various kinds of palladium catalysts, ligands, additives, and solvents, was carried out. In addition, the spectroscopic and electrochemical properties of these EDOT-containing molecules were also investigated.