2,2'-[(4,5-Dimethyl-1,2-phenylene)bis(methylenesulfanediyl)]dianiline | 627102-17-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,2'-[(4,5-Dimethyl-1,2-phenylene)bis(methylenesulfanediyl)]dianiline
• 英文别名: 2-[[2-[(2-aminophenyl)sulfanylmethyl]-4,5-dimethylphenyl]methylsulfanyl]aniline
• CAS: 627102-17-4
• 化学式: C₂₂H₂₄N₂S₂
• 分子量: 380.578
• InChiKey: PQOSERGWFNKNEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2'-[(4,5-Dimethyl-1,2-phenylene)bis(methylenesulfanediyl)]dianiline 、 2,2'-biphenyldicarboxylic acid dichloride 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 12.0h， 以45%的产率得到20,21-Dimethyl-16,25-dithia-9,32-diazahexacyclo[32.4.0.02,7.010,15.018,23.026,31]octatriaconta-1(38),2,4,6,10,12,14,18(23),19,21,26,28,30,34,36-pentadecaene-8,33-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：

  1,2-二(氯甲基)-4,5-二甲苯 、 2-氨基苯硫醇 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 8.0h， 以80%的产率得到2,2'-[(4,5-Dimethyl-1,2-phenylene)bis(methylenesulfanediyl)]dianiline
  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