1,4-Bis[(4-tert-butylphenyl)methoxy]-2,5-diethynylbenzene | 1307264-12-5

• 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: 1,4-Bis[(4-tert-butylphenyl)methoxy]-2,5-diethynylbenzene
• 英文别名: 1,4-bis[(4-tert-butylphenyl)methoxy]-2,5-diethynylbenzene
• CAS: 1307264-12-5
• 化学式: C₃₂H₃₄O₂
• 分子量: 450.621
• InChiKey: QKQOFXNCBHCHKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [RuHCl(CO)(PPh₃)₃] 、 1,4-Bis[(4-tert-butylphenyl)methoxy]-2,5-diethynylbenzene 、 三甲基膦 以 四氢呋喃 、 二氯甲烷 为溶剂， 以65%的产率得到
  参考文献：
  名称：

  Synthesis, characterization, and properties of binuclear ruthenium complexes with dendritic side chains on their bridges

  摘要：

  Three binuclear ruthenium complexes with dendritic side chains, 1,4-[RuCl(CO)(PMe3)(3)CH=CH](2)C6H2-2,5-(G(n))(2) with G(n) = G(0) (1), G(1) (2), and G(2) (3), have been synthesized by the reactions of the corresponding diethynylaryls with the ruthenium hydride complex [RuHCl(CO)(PPh3)(3)] and subsequent ligand exchange with PMe3. The complexes have been characterized by elemental analysis, NMR, and UV-Vis spectrophotometry. The structure of complex 1 has been determined by X-ray crystallography. Their electrochemical properties have been investigated. Electrochemical studies in solution may imply that the two metal centers in complexes 1-3 have good electronic communications between each other. However, the electron communication is not effectively enhanced with increasing generation of the dendrons in solution. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.01.075
• 作为产物：
  描述：

  4-叔丁基苄溴 、 2,5-bis(trimethylsilylethynyl)hydroquinone 在 18-冠醚-6 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 以76%的产率得到1,4-Bis[(4-tert-butylphenyl)methoxy]-2,5-diethynylbenzene
  参考文献：
  名称：

  Synthesis, characterization, and properties of binuclear ruthenium complexes with dendritic side chains on their bridges

  摘要：

  Three binuclear ruthenium complexes with dendritic side chains, 1,4-[RuCl(CO)(PMe3)(3)CH=CH](2)C6H2-2,5-(G(n))(2) with G(n) = G(0) (1), G(1) (2), and G(2) (3), have been synthesized by the reactions of the corresponding diethynylaryls with the ruthenium hydride complex [RuHCl(CO)(PPh3)(3)] and subsequent ligand exchange with PMe3. The complexes have been characterized by elemental analysis, NMR, and UV-Vis spectrophotometry. The structure of complex 1 has been determined by X-ray crystallography. Their electrochemical properties have been investigated. Electrochemical studies in solution may imply that the two metal centers in complexes 1-3 have good electronic communications between each other. However, the electron communication is not effectively enhanced with increasing generation of the dendrons in solution. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.01.075