3,5-Bis-(2-{2-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-ethoxy}-ethoxy)-benzoic acid methyl ester | 237770-95-5

• 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: 3,5-Bis-(2-{2-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-ethoxy}-ethoxy)-benzoic acid methyl ester
• CAS: 237770-95-5
• 化学式: C₃₀H₄₈O₁₂
• 分子量: 600.704
• InChiKey: OKEWJPVUFHBEGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.38
• 重原子数：
  42.0
• 可旋转键数：
  23.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  118.6
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  3,5-Bis-(2-{2-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-ethoxy}-ethoxy)-benzoic acid methyl ester 在 甲醇 、 4-甲基苯磺酸吡啶 作用下， 反应 2.0h， 以88%的产率得到Methyl 3,5-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzoate
  参考文献：
  名称：

  Poly[2]catenanes and Cyclic Oligo[2]catenanes Containing Alternating Topological and Covalent Bonds: Synthesis and Characterization

  摘要：

  Large bifunctionalized catenate and catenand, composed of macrocycles containing 45 atoms, have been synthesized and copolymerized with a terephthalic acid derivative to afford a cyclic oligo[2]catenand and a linear poly[2]catenate. Poly[2]catenand was obtained by demetalation of poly[2]catenate. The molecular weight distribution of these polymers, which are composed of alternating topological and covalent bonds, has been characterized by gel permeation chromatography (GPC) with universal calibration, viscometry, and MALDI-TOF mass spectrometry, We were able to synthesize a poly[2]catenate and a poly[2]catenand with a degree of polymerization (DP) equal to 8-9. In addition. an upper value of the Kuhn segment length of poly[2]catenand has been determined and is discussed in the light of its structure.

  DOI：

  10.1002/(sici)1521-3765(19990604)5:6<1841::aid-chem1841>3.0.co;2-q
• 作为产物：
  描述：

  3,5-二羟基苯甲酸甲酯 、 2-(2'-(2''-Chloroethoxy)ethoxy)ethyl-2-tetrahydro-2H-pyran 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.5h， 以95%的产率得到3,5-Bis-(2-{2-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-ethoxy}-ethoxy)-benzoic acid methyl ester
  参考文献：
  名称：

  Poly[2]catenanes and Cyclic Oligo[2]catenanes Containing Alternating Topological and Covalent Bonds: Synthesis and Characterization

  摘要：

  Large bifunctionalized catenate and catenand, composed of macrocycles containing 45 atoms, have been synthesized and copolymerized with a terephthalic acid derivative to afford a cyclic oligo[2]catenand and a linear poly[2]catenate. Poly[2]catenand was obtained by demetalation of poly[2]catenate. The molecular weight distribution of these polymers, which are composed of alternating topological and covalent bonds, has been characterized by gel permeation chromatography (GPC) with universal calibration, viscometry, and MALDI-TOF mass spectrometry, We were able to synthesize a poly[2]catenate and a poly[2]catenand with a degree of polymerization (DP) equal to 8-9. In addition. an upper value of the Kuhn segment length of poly[2]catenand has been determined and is discussed in the light of its structure.

  DOI：

  10.1002/(sici)1521-3765(19990604)5:6<1841::aid-chem1841>3.0.co;2-q