dimethyl 4,4'-bis(2-(2-methoxyethoxy)ethoxy)biphenyl-3,3'-dicarboxylate | 905267-25-6

• 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 4,4'-bis(2-(2-methoxyethoxy)ethoxy)biphenyl-3,3'-dicarboxylate
• 英文别名: Methyl 5-[3-methoxycarbonyl-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]benzoate
• CAS: 905267-25-6
• 化学式: C₂₆H₃₄O₁₀
• 分子量: 506.55
• InChiKey: BMEIDQLMGQJZAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  36
• 可旋转键数：
  19
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  dimethyl 4,4'-bis(2-(2-methoxyethoxy)ethoxy)biphenyl-3,3'-dicarboxylate 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 4.0h， 以98%的产率得到4,4'-bis(2-(2-methoxyethoxy)ethoxy)biphenyl-3,3'-dicarboxylic acid
  参考文献：
  名称：

  ‘Two-point’-bound supramolecular complexes from semi-rigidified dipyridine receptors and zinc porphyrins

  摘要：

  Two linear compounds 1 and 2 have been designed and synthesized as new receptors for zinc porphyrins. Both compounds consist of two folded aromatic amide moieties, which are connected with an acetylene linker in 1 or directly in 2. The rigid conformations of their folded moieties are stabilized by intramolecular tri-centered hydrogen bonding, while the whole molecule adopts a 'S'- or 'C'-styled conformation depending on the relative orientation of the two rigid moieties. Two pyridine units are introduced at the ends of I and 2 for the complexation of zinc porphyrin guests. Although the H-1 NMR investigation indicated that both compounds can bind two zinc porphyrin guests at high concentrations (>= 5 mM) in chloroform, the UV-vis studies revealed that, at low concentration of 1 and 2 (4 mu M), both compounds complex one zinc porphyrin guest to form structurally unique 'two-point'-bound 1: 1 complexes. The association constants of the 1: 1 complexes have been determined with the UV-vis titration experiments. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.04.082
• 作为产物：
  描述：

  2-(2-甲氧基乙氧基)乙基4-甲基苯磺酸负离子 在 碘 、 铜 、 potassium carbonate 、 silver sulfate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 12.0h， 生成 dimethyl 4,4'-bis(2-(2-methoxyethoxy)ethoxy)biphenyl-3,3'-dicarboxylate
  参考文献：
  名称：

  ‘Two-point’-bound supramolecular complexes from semi-rigidified dipyridine receptors and zinc porphyrins

  摘要：

  Two linear compounds 1 and 2 have been designed and synthesized as new receptors for zinc porphyrins. Both compounds consist of two folded aromatic amide moieties, which are connected with an acetylene linker in 1 or directly in 2. The rigid conformations of their folded moieties are stabilized by intramolecular tri-centered hydrogen bonding, while the whole molecule adopts a 'S'- or 'C'-styled conformation depending on the relative orientation of the two rigid moieties. Two pyridine units are introduced at the ends of I and 2 for the complexation of zinc porphyrin guests. Although the H-1 NMR investigation indicated that both compounds can bind two zinc porphyrin guests at high concentrations (>= 5 mM) in chloroform, the UV-vis studies revealed that, at low concentration of 1 and 2 (4 mu M), both compounds complex one zinc porphyrin guest to form structurally unique 'two-point'-bound 1: 1 complexes. The association constants of the 1: 1 complexes have been determined with the UV-vis titration experiments. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.04.082