6,13-diphenylpentacene-2,3,9,10-tetracarboxylic acid tetramethyl ester | 1240243-99-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 并五苯
• 英文名称: 6,13-diphenylpentacene-2,3,9,10-tetracarboxylic acid tetramethyl ester
• 英文别名: Tetramethyl 6,13-diphenylpentacene-2,3,9,10-tetracarboxylate；tetramethyl 6,13-diphenylpentacene-2,3,9,10-tetracarboxylate
• CAS: 1240243-99-5
• 化学式: C₄₂H₃₀O₈
• 分子量: 662.695
• InChiKey: QMBJFPIGWWKETG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  50
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  tetramethyl 6,13-diphenyl-1,2,3,4,6,8,9,10,11,13-decahydro-1,4:6,13:8,11-triepoxypentacene-2,3,9,10-tetracarboxylate 在 硫酸 作用下， 以 甲苯 为溶剂， 反应 21.5h， 以71%的产率得到6,13-diphenylpentacene-2,3,9,10-tetracarboxylic acid tetramethyl ester
  参考文献：
  名称：

  Dibromoisobenzofuran as a Formal Equivalent of Didehydroisobenzofuran: Reactive Platform for Expeditious Assembly of Polycycles

  摘要：

  Two-directional annulation of dibromoisobenzofuran, a formal equivalent to didehydroisobenzofuran, was developed. Importantly, selective bromine lithium exchange allows the tandem generation of benzynes and dual cycloadditions with two different arynophiles. Also described is the application to the synthesis of a substituted pentacene.

  DOI：

  10.1021/ol4032792

文献信息

• Synthesis of 1,2,3,4,8,9,10,11-Octasubstituted Pentacenequinone Derivatives and their Conversion into Substituted Pentacenes
  作者：Shi Li、Lishan Zhou、Kiyohiko Nakajima、Ken-ichiro Kanno、Tamotsu Takahashi

  DOI：10.1002/asia.200900754

  日期：——

  11‐octasubstituted pentacenequinone derivatives were prepared by the oxidation of 1,2,3,4,8,9,10,11‐octasubstituted pentacenes, which were synthesized by the double homologation method. Oxidation of the pentacenes was carried out with H5IO6 or air and DDQ. These octasubstituted pentacenequinones were converted into 1,2,3,4,6,8,9,10,11,13‐decasubstituted or 2,3,6,9,10,13‐hexasubstituted pentacene derivatives by the

  通过氧化1,2,3,4,8,9,10,11-辛基取代的并五苯制备一系列1,2,3,4,8,9,10,11-辛基取代的并五苯醌衍生物通过双重同源方法。用H 5 IO 6或空气和DDQ进行戊烯的氧化。通过引入芳基或炔基，将这些八取代并五苯醌转化为1,2,3,4,6,8,9,10,11,13-十取代或2,3,6,9,10,13-六取代并五苯衍生物在羰基碳上的基团。已在溶液中测量了这些新戊烯的光物理性质，并讨论了取代基的作用。