7,13,21,27-Tetrakis(4-tert-butylphenyl)-2,4,6,9,11,14,16,18,20,23,25,28-dodecazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),2,5,7,9,11,13,15,19,21,23,25,27-tridecaene | 1220531-21-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡嗪类
• 英文名称: 7,13,21,27-Tetrakis(4-tert-butylphenyl)-2,4,6,9,11,14,16,18,20,23,25,28-dodecazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),2,5,7,9,11,13,15,19,21,23,25,27-tridecaene
• 英文别名: 7,13,21,27-tetrakis(4-tert-butylphenyl)-2,4,6,9,11,14,16,18,20,23,25,28-dodecazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),2,5,7,9,11,13,15,19,21,23,25,27-tridecaene
• CAS: 1220531-21-4
• 化学式: C₅₆H₅₄N₁₂
• 分子量: 895.125
• InChiKey: MFMLFYXYUOBLOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.1
• 重原子数：
  68
• 可旋转键数：
  8
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  3-bromo-5-(4-tert-butylphenyl)-aminopyrazine 在 palladium diacetate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 甲苯 为溶剂， 反应 72.0h， 以13%的产率得到7,13,21,27-Tetrakis(4-tert-butylphenyl)-2,4,6,9,11,14,16,18,20,23,25,28-dodecazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),2,5,7,9,11,13,15,19,21,23,25,27-tridecaene
  参考文献：
  名称：

  Synthesis and properties of bis(pyrazino[2′,3′:4,5]imidazole)-fused 1,2,5,6-tetrahydro-1,4,5,8,9,10-hexaazaanthracenes: a new fluorescent nitrogen-rich heterocycle

  摘要：

  Nitrogen-rich heterocycles, bis(pyrazino[2',3':4,5]imidazole)-fused 1,2,5,6-tetrahydro-1,4,5,8,9,10-hexaazaanthracenes (BPI-HAAs) were prepared by conventional Pd(OAc)(2)/BINAP-catalyzed C-N coupling reactions of 5-aryl-3-bromoaminopyrazines. The BPI-HAA core is a planar structure with aromaticity, and this heterocycle exhibits red fluorescence and moderate electron-accepting characteristics. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.01.015

文献信息

• Synthesis and properties of bis(pyrazino[2′,3′:4,5]imidazole)-fused 1,2,5,6-tetrahydro-1,4,5,8,9,10-hexaazaanthracenes: a new fluorescent nitrogen-rich heterocycle
  作者：Sojiro Hachiya、Daisuke Hashizume、Shojiro Maki、Haruki Niwa、Takashi Hirano

  DOI：10.1016/j.tetlet.2010.01.015

  日期：2010.3

  Nitrogen-rich heterocycles, bis(pyrazino[2',3':4,5]imidazole)-fused 1,2,5,6-tetrahydro-1,4,5,8,9,10-hexaazaanthracenes (BPI-HAAs) were prepared by conventional Pd(OAc)(2)/BINAP-catalyzed C-N coupling reactions of 5-aryl-3-bromoaminopyrazines. The BPI-HAA core is a planar structure with aromaticity, and this heterocycle exhibits red fluorescence and moderate electron-accepting characteristics. (C) 2010 Elsevier Ltd. All rights reserved.