2,3-bis(dodecyloxy)pentacene-6,13-dione | 1154754-73-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 并五苯醌
• 英文名称: 2,3-bis(dodecyloxy)pentacene-6,13-dione
• 英文别名: 2,3-Didodecoxypentacene-6,13-dione；2,3-didodecoxypentacene-6,13-dione
• CAS: 1154754-73-0
• 化学式: C₄₆H₆₀O₄
• 分子量: 676.98
• InChiKey: VMZHBZMNFIMCSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.5
• 重原子数：
  50
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,4-蒽醌 、 1,2-bis(bromomethyl)-4,5-didodecyloxybenzene 在 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以80%的产率得到2,3-bis(dodecyloxy)pentacene-6,13-dione
  参考文献：
  名称：

  Expeditious Synthesis of Contorted Hexabenzocoronenes

  摘要：

  Contorted hexabenzocoronenes (HBCs) have been synthesized in an expedited manner utilizing a double Barton-Kellogg olefination reaction and a subsequent Scholl cyclization. The scope of both transformations was investigated using a series of pentacene quinones and double olefin precursors. The utility,of these reactions to help create functionalized and oligomeric HBCs in a rapid manner is demonstrated.

  DOI：

  10.1021/ol9001834

文献信息

• Expeditious Synthesis of Contorted Hexabenzocoronenes
  作者：Kyle N. Plunkett、Kamil Godula、Colin Nuckolls、Noah Tremblay、Adam C. Whalley、Shengxiong Xiao

  DOI：10.1021/ol9001834

  日期：2009.6.4

  Contorted hexabenzocoronenes (HBCs) have been synthesized in an expedited manner utilizing a double Barton-Kellogg olefination reaction and a subsequent Scholl cyclization. The scope of both transformations was investigated using a series of pentacene quinones and double olefin precursors. The utility,of these reactions to help create functionalized and oligomeric HBCs in a rapid manner is demonstrated.