7,8,9,10,18,19,20,21-Octakis-phenyl-23,25-dioxanonacyclo[14.6.1.15,12.17,10.118,21.02,15.04,13.06,11.017,22]hexacosa-2(15),3,8,13,19-pentaene-24,26-dione | 113451-37-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 7,8,9,10,18,19,20,21-Octakis-phenyl-23,25-dioxanonacyclo[14.6.1.15,12.17,10.118,21.02,15.04,13.06,11.017,22]hexacosa-2(15),3,8,13,19-pentaene-24,26-dione
• CAS: 113451-37-9
• 化学式: C₇₂H₅₀O₄
• 分子量: 979.187
• InChiKey: GMIHIRLSRNIHOS-UHFFFAOYSA-N

物化性质

• 密度：
  1.344±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  76
• 可旋转键数：
  8
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7,8,9,10,18,19,20,21-Octakis-phenyl-23,25-dioxanonacyclo[14.6.1.15,12.17,10.118,21.02,15.04,13.06,11.017,22]hexacosa-2(15),3,8,13,19-pentaene-24,26-dione 在 potassium tert-butylate 作用下， 以 四氢呋喃 、 萘烷 为溶剂， 反应 8.0h， 生成 6,7,13,14-tetramethylidene-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene
  参考文献：
  名称：

  Bisannelation with a benzo[1,2-c:4,5-c']difuran equivalent: a new route to linear acene derivatives

  摘要：

  DOI：

  10.1021/jo00241a050
• 作为产物：
  描述：

  1,4,5,8-tetrahydro-1,4:5,8-bisepoxyanthracene 、 四苯基环戊二烯酮 以 苯 为溶剂， 反应 12.0h， 以92%的产率得到7,8,9,10,18,19,20,21-Octakis-phenyl-23,25-dioxanonacyclo[14.6.1.15,12.17,10.118,21.02,15.04,13.06,11.017,22]hexacosa-2(15),3,8,13,19-pentaene-24,26-dione
  参考文献：
  名称：

  Bisannelation with a benzo[1,2-c:4,5-c']difuran equivalent: a new route to linear acene derivatives

  摘要：

  DOI：

  10.1021/jo00241a050

文献信息

• Mixed-valence, conjugated quinone and imide anion radicals. An ESR investigation
  作者：Stanton F. Rak、Larry L. Miller

  DOI：10.1021/ja00030a038

  日期：1992.2

  diquinones and diimides were produced electrochemically and studied by ESR. The odd electron of substituted 1,4,8,11-pentacenetrone anion radicals is localized (in a naphthoquinoid unit) and hops from one quinone to the other. The hopping rate was measured. The anion radicals of similarly sized anthracenetetracarboxylic acid 2,3:6,7-diimides have a delocalized odd electron, and there is relatively high electron

  线性多并苯二醌和二酰亚胺的阴离子自由基电化学产生并通过ESR研究。取代的 1,4,8,11-并五苯酮阴离子自由基的奇数电子被定位（在萘醌单元中）并从一个醌跳跃到另一个。测量跳跃率。类似大小的蒽四甲酸2,3:6,7-二亚胺的阴离子自由基具有离域奇数电子，桥上有较高的电子密度。结果与其他非共轭双电泳阴离子自由基比较
• 6,13-Dibromopentacene [2,3:9,10]-Bis(dicarboximide): A Versatile Building Block for Stable Pentacene Derivatives
  作者：Hemi Qu、Weibin Cui、Jinling Li、Jinjun Shao、Chunyan Chi

  DOI：10.1021/ol102971a

  日期：2011.3.4

  6,13-Dibromopentacene [2,3:9,10]-bis(dicarboximide) (1) was synthesized for the first time by using in situ generated benzo[1,2-c:4,5-c']difuran as a key intermediate. Compound 1 exhibits good photostability in comparison to other pentacene derivatives and it can be further functionalized by Pd-catalyzed coupling reactions to give a series of soluble and stable functional pentacenes.
• Electrochemistry and near-infrared spectra of anion radicals containing several imide or quinone groups
  作者：Stanton F. Rak、Thomas H. Jozefiak、Larry L. Miller

  DOI：10.1021/jo00303a008

  日期：1990.8
• Bisannelation with a benzo[1,2-c:4,5-c']difuran equivalent: a new route to linear acene derivatives
  作者：Jihmei Luo、Harold Hart

  DOI：10.1021/jo00241a050

  日期：1988.3