4,12,21,29-Tetratert-butyl-35,36-diselena-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 | 1421073-32-6

• 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-diselena-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-diselena-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: 1421073-32-6
• 化学式: C₄₈H₅₀N₂Se₂
• 分子量: 812.858
• InChiKey: ADTGZLDVQLXLTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.43
• 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：
  31.6
• 氢给体数：
  2
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  4,12,21,29-Tetratert-butyl-35,36-diselena-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 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 二氯甲烷 、 N,N-二甲基乙酰胺 为溶剂， 反应 137.0h， 生成
  参考文献：
  名称：

  氰基，乙炔基和乙二氧基对咔唑基卟啉的光物理性质的影响†

  摘要：

  研究了氰基和乙炔基取代咔唑基卟啉的合成及其光物理性质。乙炔基的引入引起红移，而氰基的引入引起其吸收谱带的蓝移，这得到了MO计算的支持。还通过偶联反应制备了附有乙二氧基的卟啉。通过使用实验结果和计算，已经阐明了共轭和电子取代基对咔唑基卟啉的光物理性质的影响。在这些卟啉中，乙二氧基附加的硒代卟啉在高达1178 nm的NIR区域显示出增强的红移吸收。

  DOI：

  10.1039/c5ob01824b
• 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 selenium 、 一水合肼 、 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 20.0h， 以87%的产率得到4,12,21,29-Tetratert-butyl-35,36-diselena-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

• Effects of cyano, ethynyl and ethylenedioxy groups on the photophysical properties of carbazole-based porphyrins
  作者：Chihiro Maeda、Kosuke Kurihara、Motoki Masuda、Naoki Yoshioka

  DOI：10.1039/c5ob01824b

  日期：——

  properties of cyano and ethynyl substituted carbazole-based porphyrins were investigated. The introduction of ethynyl groups induced red shifts, while that of cyano groups induced blue shifts of their absorption bands, which was supported by MO calculations. Ethylenedioxy-appended porphyrins were also prepared via a coupling reaction. The conjugated and electronic substituent effects on the photophysical

  研究了氰基和乙炔基取代咔唑基卟啉的合成及其光物理性质。乙炔基的引入引起红移，而氰基的引入引起其吸收谱带的蓝移，这得到了MO计算的支持。还通过偶联反应制备了附有乙二氧基的卟啉。通过使用实验结果和计算，已经阐明了共轭和电子取代基对咔唑基卟啉的光物理性质的影响。在这些卟啉中，乙二氧基附加的硒代卟啉在高达1178 nm的NIR区域显示出增强的红移吸收。
• 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.