3,3',5,5'-tetrakis(bromomethyl)-4,4'-dibutoxy-1,1'-biphenyl | 1329501-98-5

• 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: 3,3',5,5'-tetrakis(bromomethyl)-4,4'-dibutoxy-1,1'-biphenyl
• 英文别名: 3,3',5,5'-Tetrakis(bromomethyl)-4,4'-dibutoxybiphenyl；5-[3,5-bis(bromomethyl)-4-butoxyphenyl]-1,3-bis(bromomethyl)-2-butoxybenzene
• CAS: 1329501-98-5
• 化学式: C₂₄H₃₀Br₄O₂
• 分子量: 670.117
• InChiKey: ZPGCQOWEMAMXCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  30
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  、 3,3',5,5'-tetrakis(bromomethyl)-4,4'-dibutoxy-1,1'-biphenyl 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 以137 mg的产率得到4,4',4'',4'''-[(4,4'-dibutoxy-[1,1'-biphenyl]-3,3',5,5'-tetrayl)-tetrakis(methylenethio)]tetrakis[2-[4,5-bis(butylthio)-1,3-dithiol-2-ylidene]-5-(methylthio)-1,3-dithiole]
  参考文献：
  名称：

  Electron-rich ligands with multiple tetrathiafulvalene arms

  摘要：

  We have synthesized a series of oligodentate ligands, the structure of which consists of a central aromatic core and three or four tetrathiafulvalene-based arms. Their syntheses exploited a simple general protocol based on the reaction of a bromomethylated core with a thiolate generated in situ from an appropriate tetrathiafulvalene precursor. According to molecular modeling, proper positioning of the fulvalene arms over the central platform gives rise to an electron-rich cavity suitable for inclusion of spatial electron-deficient guests such as fullerenes.

  DOI：

  10.1007/s00706-011-0520-8
• 作为产物：
  描述：

  聚合甲醛 、 4,4'-二正丁氧基联苯 在 硫酸 、 potassium bromide 作用下， 以 溶剂黄146 为溶剂， 反应 6.0h， 以53%的产率得到3,3',5,5'-tetrakis(bromomethyl)-4,4'-dibutoxy-1,1'-biphenyl
  参考文献：
  名称：

  Electron-rich ligands with multiple tetrathiafulvalene arms

  摘要：

  We have synthesized a series of oligodentate ligands, the structure of which consists of a central aromatic core and three or four tetrathiafulvalene-based arms. Their syntheses exploited a simple general protocol based on the reaction of a bromomethylated core with a thiolate generated in situ from an appropriate tetrathiafulvalene precursor. According to molecular modeling, proper positioning of the fulvalene arms over the central platform gives rise to an electron-rich cavity suitable for inclusion of spatial electron-deficient guests such as fullerenes.

  DOI：

  10.1007/s00706-011-0520-8