18-Cycloheptyl-7-oxa-18-azaheptacyclo[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 | 1260431-90-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 18-Cycloheptyl-7-oxa-18-azaheptacyclo[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: 18-cycloheptyl-7-oxa-18-azaheptacyclo[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: 1260431-90-0
• 化学式: C₃₁H₂₁NO₅
• 分子量: 487.511
• InChiKey: CMMBKHXERFEZTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  37
• 可旋转键数：
  1
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  80.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  十二烷基伯胺 、 18-Cycloheptyl-7-oxa-18-azaheptacyclo[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 咪唑 作用下， 以91%的产率得到N-cycloheptyl-N'-dodecyl-perylene-3,4,9,10-tetracarboxylic diimide
  参考文献：
  名称：

  Direct synthesis of highly pure perylene tetracarboxylic monoimide

  摘要：

  A series of perylene tetracarboxylic monoimides substituted with cycloalkanes were synthesized through a one-step reaction between cycloalkyl amines and the parent perylene dianhydride. The reaction demonstrates high selectivity for the production of monoimides with no formation of diimides. The high reaction selectivity is primarily due to the insolubility of the monoimides in the reaction medium, which in turn causes rapid precipitation of the products, shifting the reaction equilibrium to the right. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.10.071
• 作为产物：
  描述：

  环庚胺 、 3,4,9,10-苝四羧酸二酐 以 乙醇 、 水 为溶剂， 生成 18-Cycloheptyl-7-oxa-18-azaheptacyclo[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：

  Direct synthesis of highly pure perylene tetracarboxylic monoimide

  摘要：

  A series of perylene tetracarboxylic monoimides substituted with cycloalkanes were synthesized through a one-step reaction between cycloalkyl amines and the parent perylene dianhydride. The reaction demonstrates high selectivity for the production of monoimides with no formation of diimides. The high reaction selectivity is primarily due to the insolubility of the monoimides in the reaction medium, which in turn causes rapid precipitation of the products, shifting the reaction equilibrium to the right. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.10.071

文献信息

• Direct synthesis of highly pure perylene tetracarboxylic monoimide
  作者：Helin Huang、Yanke Che、Ling Zang

  DOI：10.1016/j.tetlet.2010.10.071

  日期：2010.12

  A series of perylene tetracarboxylic monoimides substituted with cycloalkanes were synthesized through a one-step reaction between cycloalkyl amines and the parent perylene dianhydride. The reaction demonstrates high selectivity for the production of monoimides with no formation of diimides. The high reaction selectivity is primarily due to the insolubility of the monoimides in the reaction medium, which in turn causes rapid precipitation of the products, shifting the reaction equilibrium to the right. (C) 2010 Elsevier Ltd. All rights reserved.