4-[3-[3,5-Bis(4-carboxyphenyl)-2-ethoxyphenyl]-5-(4-carboxyphenyl)-4-ethoxyphenyl]benzoic acid | 1025483-13-9

• 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: 4-[3-[3,5-Bis(4-carboxyphenyl)-2-ethoxyphenyl]-5-(4-carboxyphenyl)-4-ethoxyphenyl]benzoic acid
• 英文别名: 4-[3-[3,5-bis(4-carboxyphenyl)-2-ethoxyphenyl]-5-(4-carboxyphenyl)-4-ethoxyphenyl]benzoic acid
• CAS: 1025483-13-9
• 化学式: C₄₄H₃₄O₁₀
• 分子量: 722.748
• InChiKey: ZQMJOCYASCGDMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  54
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  168
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  4-[3-[3,5-Bis(4-carboxyphenyl)-2-ethoxyphenyl]-5-(4-carboxyphenyl)-4-ethoxyphenyl]benzoic acid 在 HCl 作用下， 以 盐酸 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成
  参考文献：
  名称：

  3D Metal−Organic Frameworks Based on Elongated Tetracarboxylate Building Blocks for Hydrogen Storage

  摘要：

  Two 3D metal-organic frameworks (MOFs) with a new biphenol-derived tetracarboxylate linker and Cu-II and Zn-II metal-connecting points were synthesized and characterized by single-crystal X-ray crystallographic studies. The two isostructural MOFs exhibit distorted PtS network topology and show markedly different framework stability. The porosity and hydrogen uptake of the frameworks were determined by gas adsorption experiments.

  DOI：

  10.1021/ic8003855

文献信息

• 3D Metal−Organic Frameworks Based on Elongated Tetracarboxylate Building Blocks for Hydrogen Storage
  作者：Liqing Ma、Jeong Yong Lee、Jing Li、Wenbin Lin

  DOI：10.1021/ic8003855

  日期：2008.5.19

  Two 3D metal-organic frameworks (MOFs) with a new biphenol-derived tetracarboxylate linker and Cu-II and Zn-II metal-connecting points were synthesized and characterized by single-crystal X-ray crystallographic studies. The two isostructural MOFs exhibit distorted PtS network topology and show markedly different framework stability. The porosity and hydrogen uptake of the frameworks were determined by gas adsorption experiments.