dimethyl 2,2'-(((4,5-dimethyl-1,2-phenylene)bis(methylene))bis(oxy))dibenzoate | 856685-83-1

• 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: dimethyl 2,2'-(((4,5-dimethyl-1,2-phenylene)bis(methylene))bis(oxy))dibenzoate
• CAS: 856685-83-1
• 化学式: C₂₆H₂₆O₆
• 分子量: 434.489
• InChiKey: DAGKWGUZTBTGHF-UHFFFAOYSA-N

物化性质

• 熔点：
  121-123 °C
• 沸点：
  573.1±45.0 °C(Predicted)
• 密度：
  1.183±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.03
• 重原子数：
  32.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  dimethyl 2,2'-(((4,5-dimethyl-1,2-phenylene)bis(methylene))bis(oxy))dibenzoate 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以90%的产率得到2-[[2-[(2-羧基苯氧基)甲基]-4,5-二甲基苯基]甲氧基]苯甲酸
  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 、 水杨酸甲酯 在 potassium carbonate 、 potassium iodide 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以97%的产率得到dimethyl 2,2'-(((4,5-dimethyl-1,2-phenylene)bis(methylene))bis(oxy))dibenzoate
  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