40-Oxa-8,17,24,33-tetrazaoctacyclo[33.3.1.12,6.13,38.07,15.09,14.026,34.027,32]hentetraconta-1(38),2,4,6(41),7(15),9,11,13,16,24,26(34),27,29,31,35(39),36-hexadecaene | 1402073-88-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 40-Oxa-8,17,24,33-tetrazaoctacyclo[33.3.1.12,6.13,38.07,15.09,14.026,34.027,32]hentetraconta-1(38),2,4,6(41),7(15),9,11,13,16,24,26(34),27,29,31,35(39),36-hexadecaene
• CAS: 1402073-88-4
• 化学式: C₃₆H₃₀N₄O
• 分子量: 534.66
• InChiKey: ZIAIKAREAYEZHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  41
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  69.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  40-Oxa-8,17,24,33-tetrazaoctacyclo[33.3.1.12,6.13,38.07,15.09,14.026,34.027,32]hentetraconta-1(38),2,4,6(41),7(15),9,11,13,16,24,26(34),27,29,31,35(39),36-hexadecaene 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以58%的产率得到40-Oxa-8,17,24,33-tetrazaoctacyclo[33.3.1.12,6.13,38.07,15.09,14.026,34.027,32]hentetraconta-1(38),2,4,6(41),7(15),9,11,13,26(34),27,29,31,35(39),36-tetradecaene
  参考文献：
  名称：

  Synthesis of macrocyclic systems derived from di-(2-indolyl)heteroarenes

  摘要：

  A number of new 3,6-di-(2-indolyl)-dibenzofuran and carbazole derivatives have been prepared from dibenzofuran and carbazole linkers via the Fischer indole synthesis. The bis-indoles were successfully formylated at C3 and the resulting dicarbaldehydes were combined with diamines to generate indole based imine macrocyclic systems. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.08.063
• 作为产物：
  描述：

  2,8-di(1H-indol-2-yl)dibenzo[b,d]furan 在 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 0.33h， 生成 40-Oxa-8,17,24,33-tetrazaoctacyclo[33.3.1.12,6.13,38.07,15.09,14.026,34.027,32]hentetraconta-1(38),2,4,6(41),7(15),9,11,13,16,24,26(34),27,29,31,35(39),36-hexadecaene
  参考文献：
  名称：

  Synthesis of macrocyclic systems derived from di-(2-indolyl)heteroarenes

  摘要：

  A number of new 3,6-di-(2-indolyl)-dibenzofuran and carbazole derivatives have been prepared from dibenzofuran and carbazole linkers via the Fischer indole synthesis. The bis-indoles were successfully formylated at C3 and the resulting dicarbaldehydes were combined with diamines to generate indole based imine macrocyclic systems. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.08.063