N,N'-di-(2,6-dimethyl-4-benzoic acid)-1,4,5,8-naphthalenetetracarboxylic acid diimide | 1103906-41-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N,N'-di-(2,6-dimethyl-4-benzoic acid)-1,4,5,8-naphthalenetetracarboxylic acid diimide
• 英文别名: 4-[13-(4-Carboxy-2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-3,5-dimethylbenzoic acid；4-[13-(4-carboxy-2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-3,5-dimethylbenzoic acid
• CAS: 1103906-41-7
• 化学式: C₃₂H₂₂N₂O₈
• 分子量: 562.535
• InChiKey: HTKCIHOOSLEIMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  42
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  149
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,4,5,8-萘四甲酸酐 、 4-氨基-3,5-二甲基-苯甲酸 以 丙酸 为溶剂， 反应 48.0h， 以1.5 g的产率得到N,N'-di-(2,6-dimethyl-4-benzoic acid)-1,4,5,8-naphthalenetetracarboxylic acid diimide
  参考文献：
  名称：

  Supercritical Processing as a Route to High Internal Surface Areas and Permanent Microporosity in Metal−Organic Framework Materials

  摘要：

  Careful processing of four representative metal-organic framework (MOF) materials with liquid and supercritical. carbon dioxide (ScD) leads to substantial, or in some cases spectacular (up to 1200%), increases in gas-accessible surface area. Maximization of surface area is key to the optimization of MOFs for many potential. applications. Preliminary evidence points to inhibition of mesopore collapse, and therefore micropore accessibility, as the basis for the extraordinarily efficacious outcome of ScD-based activation

  DOI：

  10.1021/ja808853q

文献信息

• Activation of porous MOF materials
  申请人：Hupp Joseph T.

  公开号：US20110144367A1

  公开（公告）日：2011-06-16

  A method for the treatment of solvent-containing MOF material to increase its internal surface area involves introducing a liquid into the MOF in which liquid the solvent is miscible, subjecting the MOF to supercritical conditions for a time to form supercritical fluid, and releasing the supercritical conditions to remove the supercritical fluid from the MOF. Prior to introducing the liquid into the MOF, occluded reaction solvent, such as DEF or DMF, in the MOF can be exchanged for the miscible solvent.

  一种处理含溶剂MOF材料以增加其内部表面积的方法包括将液体引入MOF中，其中液体与溶剂相溶，将MOF置于超临界条件下一段时间以形成超临界流体，并释放超临界条件以从MOF中去除超临界流体。在将液体引入MOF之前，可以将MOF中的包含反应溶剂（例如DEF或DMF）交换为相溶的溶剂。
• Activation of Porous MOF Materials
  申请人：NORTHWESTERN UNIVERSITY

  公开号：US20130237412A1

  公开（公告）日：2013-09-12

  A method for the treatment of solvent-containing MOF material to increase its internal surface area involves introducing a liquid into the MOF in which liquid the solvent is miscible, subjecting the MOF to supercritical conditions for a time to form supercritical fluid, and releasing the supercritical conditions to remove the supercritcal fluid from the MOF. Prior to introducing the liquid into the MOF, occluded reaction solvent, such as DEF or DMF, in the MOF can be exchanged for the miscible solvent.
• Supercritical Processing as a Route to High Internal Surface Areas and Permanent Microporosity in Metal−Organic Framework Materials
  作者：Andrew P. Nelson、Omar K. Farha、Karen L. Mulfort、Joseph T. Hupp

  DOI：10.1021/ja808853q

  日期：2009.1.21

  Careful processing of four representative metal-organic framework (MOF) materials with liquid and supercritical. carbon dioxide (ScD) leads to substantial, or in some cases spectacular (up to 1200%), increases in gas-accessible surface area. Maximization of surface area is key to the optimization of MOFs for many potential. applications. Preliminary evidence points to inhibition of mesopore collapse, and therefore micropore accessibility, as the basis for the extraordinarily efficacious outcome of ScD-based activation