4-[[2-[(4-aminophenoxy)methyl]-4,5-dimethylphenyl]methoxy]aniline | 856685-41-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[[2-[(4-aminophenoxy)methyl]-4,5-dimethylphenyl]methoxy]aniline
• CAS: 856685-41-1
• 化学式: C₂₂H₂₄N₂O₂
• 分子量: 348.445
• InChiKey: AHVNDVOUVGPBIH-UHFFFAOYSA-N

物化性质

• 熔点：
  190-192 °C
• 沸点：
  564.3±45.0 °C(Predicted)
• 密度：
  1.177±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.63
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  70.5
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-[[4-[(2-carbonochloridoylphenoxy)methyl]phenyl]methoxy]benzoyl chloride 、 4-[[2-[(4-aminophenoxy)methyl]-4,5-dimethylphenyl]methoxy]aniline 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 12.0h， 以48%的产率得到34,35-Dimethyl-10,17,30,39-tetraoxa-2,25-diazaheptacyclo[38.2.2.212,15.226,29.04,9.018,23.032,37]octatetraconta-1(43),4,6,8,12,14,18,20,22,26(46),27,29(45),32(37),33,35,40(44),41,47-octadecaene-3,24-dione
  参考文献：
  名称：

  Synthesis, characterization and ion transportation studies of some novel cyclophane amides

  摘要：

  Various novel cyclophane amides with a large cavity have been synthesized. The structures of cyclophane amides 14 and 15 were resolved using XRD studies. Cyclophane amide 28 shows a shift in lambda(max) in the UV/Vis. spectra when treated with Cu (II) ion as well as with Ph(II) ion. Ion transportation studies were carried out with cyclophane amide 14 which proved that the Na+ ion passes through the cavity while K+ ions are retained. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.03.064
• 作为产物：
  描述：

  对硝基苯酚 在 palladium on activated charcoal 氢气 、 potassium carbonate 、 potassium iodide 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 5.0h， 生成 4-[[2-[(4-aminophenoxy)methyl]-4,5-dimethylphenyl]methoxy]aniline
  参考文献：
  名称：

  Synthesis, characterization and ion transportation studies of some novel cyclophane amides

  摘要：

  Various novel cyclophane amides with a large cavity have been synthesized. The structures of cyclophane amides 14 and 15 were resolved using XRD studies. Cyclophane amide 28 shows a shift in lambda(max) in the UV/Vis. spectra when treated with Cu (II) ion as well as with Ph(II) ion. Ion transportation studies were carried out with cyclophane amide 14 which proved that the Na+ ion passes through the cavity while K+ ions are retained. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.03.064