11-Anthracen-2-yl-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone | 1335241-33-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 11-Anthracen-2-yl-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• 英文别名: 11-anthracen-2-yl-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• CAS: 1335241-33-2
• 化学式: C₆₂H₅₀N₂O₄
• 分子量: 887.09
• InChiKey: WBXFRTDBUJUEGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.5
• 重原子数：
  68
• 可旋转键数：
  7
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  11-Anthracen-2-yl-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone 在 碘 、 氧气 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以93%的产率得到10,33-Bis[2,6-di(propan-2-yl)phenyl]-10,33-diazaundecacyclo[29.7.1.14,8.02,29.03,14.05,38.015,28.016,25.018,23.035,39.012,40]tetraconta-1,3,5(38),6,8(40),12,14,16,18,20,22,24,26,28,30,35(39),36-heptadecaene-9,11,32,34-tetrone
  参考文献：
  名称：

  Anthraceno-Perylene Bisimides: The Precursor of a New Acene

  摘要：

  A controlled synthesis strategy for a anthracene-fused perylene bisimide was developed from the cyclization of an anthracene unit pendant to a perylene diimide scaffold. The direct cyclization led to a zigzag molecule, while a Diels-Alder strategy influenced the reglochemistry of cyclization to afford the linear precursor of a new acene.

  DOI：

  10.1021/ol202417u
• 作为产物：
  描述：

  N,N'-bis(2,6-diisopropylphenyl)-1-bromoperylene-3,4,9,10-tetracarboxydiimide 、 2-蒽硼酸频呢醇酯 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 3.0h， 以83%的产率得到11-Anthracen-2-yl-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
  参考文献：
  名称：

  Anthraceno-Perylene Bisimides: The Precursor of a New Acene

  摘要：

  A controlled synthesis strategy for a anthracene-fused perylene bisimide was developed from the cyclization of an anthracene unit pendant to a perylene diimide scaffold. The direct cyclization led to a zigzag molecule, while a Diels-Alder strategy influenced the reglochemistry of cyclization to afford the linear precursor of a new acene.

  DOI：

  10.1021/ol202417u

文献信息

• Anthraceno-Perylene Bisimides: The Precursor of a New Acene
  作者：Yongjun Li、Liang Xu、Taifeng Liu、Yanwen Yu、Huibiao Liu、Yuliang Li、Daoben Zhu

  DOI：10.1021/ol202417u

  日期：2011.10.21

  A controlled synthesis strategy for a anthracene-fused perylene bisimide was developed from the cyclization of an anthracene unit pendant to a perylene diimide scaffold. The direct cyclization led to a zigzag molecule, while a Diels-Alder strategy influenced the reglochemistry of cyclization to afford the linear precursor of a new acene.