1,1'-((5'-bromo-[1,1':3',1''-terphenyl]-4,4''-diyl)bis(methylene))bis(1H-indole-3-carbaldehyde) | 918964-63-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,1'-((5'-bromo-[1,1':3',1''-terphenyl]-4,4''-diyl)bis(methylene))bis(1H-indole-3-carbaldehyde)
• CAS: 918964-63-3
• 化学式: C₃₈H₂₇BrN₂O₂
• 分子量: 623.549
• InChiKey: DAQVADGJEVUGGX-UHFFFAOYSA-N

物化性质

• 熔点：
  218-222 °C
• 沸点：
  823.8±65.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.41
• 重原子数：
  43.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  44.0
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1,1'-((5'-bromo-[1,1':3',1''-terphenyl]-4,4''-diyl)bis(methylene))bis(1H-indole-3-carbaldehyde) 在 四氯化钛 、 锌 作用下， 以 四氢呋喃 为溶剂， 以8%的产率得到4,37-Dibromo-12,29,45,62-tetrazapentadecacyclo[62.2.2.27,10.231,34.240,43.12,6.112,19.122,29.135,39.145,52.155,62.013,18.023,28.046,51.056,61]octaconta-1(66),2,4,6(80),7(79),8,10(78),13,15,17,19(77),20,22(76),23,25,27,31(75),32,34(74),35(73),36,38,40,42,46,48,50,52(70),53,55(69),56,58,60,64,67,71-hexatriacontaene
  参考文献：
  名称：

  Synthesis, complexation studies and biological applications of some novel stilbenophanes, indolophanes and bisindolostilbenophanes via McMurry coupling

  摘要：

  Various types of stilbenophanes, indolophanes and bisindolostilbenophanes were synthesized by intra-, inter- and tandem intra-, intermolecular McMurry coupling. Some of the indolophanes and bisindolostilbenophanes exhibited significant activity against the growth of various bacteria. Complexation of some of the cyclophanes with TCNQ has also been studied. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.09.078
• 作为产物：
  描述：

  1,3,5-三溴苯 在 sodium hydroxide 、 N-溴代丁二酰亚胺(NBS) 、 magnesium 、 过氧化苯甲酰 作用下， 以 四氢呋喃 、 四氯化碳 、 乙腈 为溶剂， 反应 88.0h， 生成 1,1'-((5'-bromo-[1,1':3',1''-terphenyl]-4,4''-diyl)bis(methylene))bis(1H-indole-3-carbaldehyde)
  参考文献：
  名称：

  Synthesis, complexation studies and biological applications of some novel stilbenophanes, indolophanes and bisindolostilbenophanes via McMurry coupling

  摘要：

  Various types of stilbenophanes, indolophanes and bisindolostilbenophanes were synthesized by intra-, inter- and tandem intra-, intermolecular McMurry coupling. Some of the indolophanes and bisindolostilbenophanes exhibited significant activity against the growth of various bacteria. Complexation of some of the cyclophanes with TCNQ has also been studied. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.09.078