4,12,21,29-Tetratert-butyl-35,36-dioxa-8,25-diazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2(7),3,5,9(14),10,12,15,17,19(24),20,22,26(31),27,29,32-hexadecaene | 1421073-30-4

• 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: 4,12,21,29-Tetratert-butyl-35,36-dioxa-8,25-diazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2(7),3,5,9(14),10,12,15,17,19(24),20,22,26(31),27,29,32-hexadecaene
• 英文别名: 4,12,21,29-tetratert-butyl-35,36-dioxa-8,25-diazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2(7),3,5,9(14),10,12,15,17,19(24),20,22,26(31),27,29,32-hexadecaene
• CAS: 1421073-30-4
• 化学式: C₄₈H₅₀N₂O₂
• 分子量: 686.937
• InChiKey: XWMGCBREBOWSMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  52
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  57.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  6,15,23,32-Tetratert-butyl-2,19-diazaheptacyclo[28.4.0.03,8.04,34.013,18.017,21.020,25]tetratriaconta-1(30),3(8),4,6,13(18),14,16,20(25),21,23,31,33-dodecaen-9,11,26,28-tetrayne 在 copper(l) iodide 、 1,10-菲罗啉 、 硫酸 、 potassium hydroxide 作用下， 以 氯仿 、 对二甲苯 为溶剂， 反应 18.0h， 生成 4,12,21,29-Tetratert-butyl-35,36-dioxa-8,25-diazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2(7),3,5,9(14),10,12,15,17,19(24),20,22,26(31),27,29,32-hexadecaene
  参考文献：
  名称：

  Synthesis of Carbazole-Based Selenaporphyrin via Annulation

  摘要：

  Cu(I)-mediated alkoxylation of doubly 1,3-butadiyne-bridged carbazole dimer 1, followed by acid-catalyzed cyclization, provided furan-bridged carbazole dimer 3, while annulation reaction of 1 with selenium in the presence of hydrazine monohydrate provided selenophene-bridged carbazole dimer 5a. Oxidation of isophlorin 5a afforded carbazole-based selenaporphyrin 5b, which possessed distinct aromaticity and produced intensified and red-shifted absorption bands in the near-IR region.

  DOI：

  10.1021/ol303392g

文献信息

• Synthesis of Carbazole-Based Selenaporphyrin <i>via</i> Annulation
  作者：Motoki Masuda、Chihiro Maeda、Naoki Yoshioka

  DOI：10.1021/ol303392g

  日期：2013.2.1

  Cu(I)-mediated alkoxylation of doubly 1,3-butadiyne-bridged carbazole dimer 1, followed by acid-catalyzed cyclization, provided furan-bridged carbazole dimer 3, while annulation reaction of 1 with selenium in the presence of hydrazine monohydrate provided selenophene-bridged carbazole dimer 5a. Oxidation of isophlorin 5a afforded carbazole-based selenaporphyrin 5b, which possessed distinct aromaticity and produced intensified and red-shifted absorption bands in the near-IR region.