5-(4-bromophenyl)-14-phenylpentacene-6,13-dione | 1255101-62-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 并五苯醌
• 英文名称: 5-(4-bromophenyl)-14-phenylpentacene-6,13-dione
• 英文别名: 5-(4-Bromophenyl)-14-phenylpentacene-6,13-dione
• CAS: 1255101-62-2
• 化学式: C₃₄H₁₉BrO₂
• 分子量: 539.428
• InChiKey: IQVPNSZGXLIGAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  37
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(4-bromophenyl)-14-phenylpentacene-6,13-dione 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以99%的产率得到5-(4-bromophenyl)-14-phenyl-6,13-dihydropentacene-6,13-diol
  参考文献：
  名称：

  Synthesis of Functionalized Pentacenes from Isobenzofurans Derived from C−H Bond Activation

  摘要：

  The synthesis of unsymmetric functionalized pentacenes from 1,4-anthraquinones and functionalized isobenzofurans, which were prepared by transformation via C H bond activation, was successfully accomplished. Examples of the synthesis of pentacenes with functional groups at the 5-position are still rare. These obtained functionalized pentacenes are highly soluble in hexane, toluene, and THF.

  DOI：

  10.1021/ol102349r
• 作为产物：
  描述：

  1-(4-bromophenyl)-3-phenylbenzo[c]furan 、 1,4-蒽醌 在 三氟甲磺酸三甲基硅酯 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以84%的产率得到5-(4-bromophenyl)-14-phenylpentacene-6,13-dione
  参考文献：
  名称：

  Synthesis of Functionalized Pentacenes from Isobenzofurans Derived from C−H Bond Activation

  摘要：

  The synthesis of unsymmetric functionalized pentacenes from 1,4-anthraquinones and functionalized isobenzofurans, which were prepared by transformation via C H bond activation, was successfully accomplished. Examples of the synthesis of pentacenes with functional groups at the 5-position are still rare. These obtained functionalized pentacenes are highly soluble in hexane, toluene, and THF.

  DOI：

  10.1021/ol102349r

文献信息

• Synthesis of Functionalized Pentacenes from Isobenzofurans Derived from C−H Bond Activation
  作者：Yoichiro Kuninobu、Takayuki Seiki、Shunsuke Kanamaru、Yuta Nishina、Kazuhiko Takai

  DOI：10.1021/ol102349r

  日期：2010.11.19

  The synthesis of unsymmetric functionalized pentacenes from 1,4-anthraquinones and functionalized isobenzofurans, which were prepared by transformation via C H bond activation, was successfully accomplished. Examples of the synthesis of pentacenes with functional groups at the 5-position are still rare. These obtained functionalized pentacenes are highly soluble in hexane, toluene, and THF.