(2-(2,5-dibromophenyl)-2-hydroxyethyl)anthracene | 885693-83-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: (2-(2,5-dibromophenyl)-2-hydroxyethyl)anthracene
• CAS: 885693-83-4
• 化学式: C₂₂H₁₆Br₂O
• 分子量: 456.176
• InChiKey: HZMZQDXBZGKRSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.79
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (2-(2,5-dibromophenyl)-2-hydroxyethyl)anthracene 在 碘代三甲硅烷 作用下， 以 正己烷 、 二氯甲烷 、 乙腈 为溶剂， 反应 1.0h， 以40%的产率得到(2-(2,5-dibromophenyl)ethyl)anthracene
  参考文献：
  名称：

  Synthesis and spectroscopy of anthracene-containing linear and ‘T’-shaped π-conjugated ligands

  摘要：

  A range of new it-conjugated ethynyl- and diethynyl-benzene ligands has been synthesised and their spectroscopic characterisation carried out, most notably via IR and H-1 NMR. X-ray crystal structures were obtained for three of these ligands and one unusual ruthenium complex. Both the 4-ethynyl- and 2,5-diethynyl-benzene cores of these compounds have been functionalised through organic transformations by addition of an 9-anthracenyl. This has been attached via a range of linker moieties that vary in both their length and degree of pi-conjugation. This has given rise to two groups of compounds with either a linear, e.g., 9-(2-(4-ethynylphenyl)ethynediyl)anthracene and 9-(2-(4-ethynylphenyl)ethyl)anthracene, or 'T'-shaped morphologies, e.g., 9-(2-(2,5-diethylnylphenyl)ethyl)anthracene. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.12.024
• 作为产物：
  描述：

  9-溴甲基蒽 在 sodium tetrahydroborate 、 potassium tert-butylate 、 碘 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 11.0h， 生成 (2-(2,5-dibromophenyl)-2-hydroxyethyl)anthracene
  参考文献：
  名称：

  Synthesis and spectroscopy of anthracene-containing linear and ‘T’-shaped π-conjugated ligands

  摘要：

  A range of new it-conjugated ethynyl- and diethynyl-benzene ligands has been synthesised and their spectroscopic characterisation carried out, most notably via IR and H-1 NMR. X-ray crystal structures were obtained for three of these ligands and one unusual ruthenium complex. Both the 4-ethynyl- and 2,5-diethynyl-benzene cores of these compounds have been functionalised through organic transformations by addition of an 9-anthracenyl. This has been attached via a range of linker moieties that vary in both their length and degree of pi-conjugation. This has given rise to two groups of compounds with either a linear, e.g., 9-(2-(4-ethynylphenyl)ethynediyl)anthracene and 9-(2-(4-ethynylphenyl)ethyl)anthracene, or 'T'-shaped morphologies, e.g., 9-(2-(2,5-diethylnylphenyl)ethyl)anthracene. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.12.024