Diethyl 2,5-dibutoxyterephthalate | 908097-36-9

• 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: Diethyl 2,5-dibutoxyterephthalate
• 英文别名: diethyl 2,5-dibutoxybenzene-1,4-dicarboxylate
• CAS: 908097-36-9
• 化学式: C₂₀H₃₀O₆
• 分子量: 366.455
• InChiKey: CCZNEBGEKGZMBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  26
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Diethyl 2,5-dibutoxyterephthalate 在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以1.24 g的产率得到2,5-dibutoxyterephthalic acid
  参考文献：
  名称：

  Gated Channels in a Honeycomb-like Zinc−Dicarboxylate−Bipyridine Framework with Flexible Alkyl Ether Side Chains

  摘要：

  Covalent functionalization of 1,4-benzenedicarboxylate (bdc) with methoxyethoxy groups induces conformational freedom in this molecule. Applying these 2,5-disubstituted bdc derivatives in metal organic framework synthesis together with 4,4'-bipyridine as coligand yields novel honeycomb-like structures. The cylindrical channels of these materials are populated with flexible groups, which act as molecular gates for guest molecules. This allows highly selective sorption of CO2 over N-2 and CH4.

  DOI：

  10.1021/ja109317e
• 作为产物：
  描述：

  2,5-二羟基对苯二甲酸乙酯 、 正丁醇 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 Diethyl 2,5-dibutoxyterephthalate
  参考文献：
  名称：

  Gated Channels in a Honeycomb-like Zinc−Dicarboxylate−Bipyridine Framework with Flexible Alkyl Ether Side Chains

  摘要：

  Covalent functionalization of 1,4-benzenedicarboxylate (bdc) with methoxyethoxy groups induces conformational freedom in this molecule. Applying these 2,5-disubstituted bdc derivatives in metal organic framework synthesis together with 4,4'-bipyridine as coligand yields novel honeycomb-like structures. The cylindrical channels of these materials are populated with flexible groups, which act as molecular gates for guest molecules. This allows highly selective sorption of CO2 over N-2 and CH4.

  DOI：

  10.1021/ja109317e

文献信息

• Gated Channels in a Honeycomb-like Zinc−Dicarboxylate−Bipyridine Framework with Flexible Alkyl Ether Side Chains
  作者：Sebastian Henke、Roland A. Fischer

  DOI：10.1021/ja109317e

  日期：2011.2.23

  Covalent functionalization of 1,4-benzenedicarboxylate (bdc) with methoxyethoxy groups induces conformational freedom in this molecule. Applying these 2,5-disubstituted bdc derivatives in metal organic framework synthesis together with 4,4'-bipyridine as coligand yields novel honeycomb-like structures. The cylindrical channels of these materials are populated with flexible groups, which act as molecular gates for guest molecules. This allows highly selective sorption of CO2 over N-2 and CH4.

表征谱图