2-(2-(2-methoxyethoxy)ethoxy)ethyl 3,4-diiodobenzoate | 1071750-65-6

• 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: 2-(2-(2-methoxyethoxy)ethoxy)ethyl 3,4-diiodobenzoate
• CAS: 1071750-65-6
• 化学式: C₁₄H₁₈I₂O₅
• 分子量: 520.103
• InChiKey: AIWVBWNHXQNKLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.73
• 重原子数：
  21.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  53.99
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-(2-(2-methoxyethoxy)ethoxy)ethyl 3,4-diiodobenzoate 、 三甲基乙炔基硅 在 bis-triphenylphosphine-palladium(II) chloride 、 三乙胺 作用下， 以95%的产率得到
  参考文献：
  名称：

  Synthesis of Macrocycle Isomers via Metathesis Cyclization and Their Self-Assembly from Aqueous Solutions

  摘要：

  Novel triangular macrocycle isomers were synthesized through metathesis cyclization with high yield (77%). HPLC and MALDI-TOF showed that the purity of the macrocycles was higher than 99%, while H-1 NMR clearly showed that these macrocycles contain C-2 and C-3 isomers in a ratio of 1:3. AFM and TEM showed that they spontaneously formed vesicular structures in a chloroform/water system with an average diameter of 460 nm, which was corroborated by DLS results.

  DOI：

  10.1021/ol801881k
• 作为产物：
  描述：

  三甘醇单甲醚 、 3,4-二碘苯甲酸 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以81%的产率得到2-(2-(2-methoxyethoxy)ethoxy)ethyl 3,4-diiodobenzoate
  参考文献：
  名称：

  Synthesis of Macrocycle Isomers via Metathesis Cyclization and Their Self-Assembly from Aqueous Solutions

  摘要：

  Novel triangular macrocycle isomers were synthesized through metathesis cyclization with high yield (77%). HPLC and MALDI-TOF showed that the purity of the macrocycles was higher than 99%, while H-1 NMR clearly showed that these macrocycles contain C-2 and C-3 isomers in a ratio of 1:3. AFM and TEM showed that they spontaneously formed vesicular structures in a chloroform/water system with an average diameter of 460 nm, which was corroborated by DLS results.

  DOI：

  10.1021/ol801881k