4-[34-(4-Carboxyphenyl)-9,14,19,24,26,28,30,32-octamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaenyl]benzoic acid | 1402919-94-1

• 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-[34-(4-Carboxyphenyl)-9,14,19,24,26,28,30,32-octamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaenyl]benzoic acid
• 英文别名: 4-[34-(4-carboxyphenyl)-9,14,19,24,26,28,30,32-octamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaenyl]benzoic acid
• CAS: 1402919-94-1
• 化学式: C₅₇H₅₄O₁₂
• 分子量: 931.049
• InChiKey: YGJFVZBCZJVHDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  69
• 可旋转键数：
  12
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  148
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  4-[34-(4-Carboxyphenyl)-9,14,19,24,26,28,30,32-octamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaenyl]benzoic acid 、 硫酸二甲酯 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 46.0h， 生成
  参考文献：
  名称：

  Enantiopure pillar[5]arene active domains within a homochiral metal–organic framework

  摘要：

  含有柱[5]烷并环的具有平面手性的对映纯支柱与Zn4O簇相连，形成金属-有机框架，其中包含同手性活性域，因此有望在手性色谱中发挥坚实的支撑作用。

  DOI：

  10.1039/c4cc02559h
• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 12.0h， 以0.55 g的产率得到4-[34-(4-Carboxyphenyl)-9,14,19,24,26,28,30,32-octamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaenyl]benzoic acid
  参考文献：
  名称：

  Incorporation of an A1/A2-Difunctionalized Pillar[5]arene into a Metal–Organic Framework

  摘要：

  An efficient synthetic route to an A1/A2-difunctionalized pillar[5]arene containing resolvable planar chirality has been developed and the arene employed as a strut in the synthesis of P5A-MOE-1, which has been demonstrated by X-ray powder diffraction analysis-supported by modeling-to be isoreticular with MOF-5. This metal-organic framework has an active domain that expresses good and selective uptake of neutral and positively charged electron-poor aromatic guests, which effect color changes of the cubic crystals from faint yellow to deep orange, arising from charge transfer between the guests and active domain of P5A-MOE-1.

  DOI：

  10.1021/ja3082523

文献信息

• Homochiral Metal-Organic Framework with Enantiopure Pillar[5]arene Active Domains
  申请人：Northwestern University

  公开号：US20160060201A1

  公开（公告）日：2016-03-03

  Homochiral metal organic framework (MOF) selected from a group consisting of (Sp)-P5A-MOF-1 and (Rp)-P5A-MOF-1 is provided. The homochiral MOFs are prepared from pure enantiomer struts of formula (I): The homochiral MOFs are suitable for separation of enantiomers from racemic mixtures.

  提供了从由（Sp）-P5A-MOF-1和（Rp）-P5A-MOF-1组成的群体中选择的同手性金属有机框架（MOF）。同手性MOF是由公式（I）的纯对映异构体支架制备而成的。同手性MOF适用于从混合物中分离对映异构体。
• Incorporation of an A1/A2-Difunctionalized Pillar[5]arene into a Metal–Organic Framework
  作者：Nathan L. Strutt、David Fairen-Jimenez、Julien Iehl、Marianne B. Lalonde、Randall Q. Snurr、Omar K. Farha、Joseph T. Hupp、J. Fraser Stoddart

  DOI：10.1021/ja3082523

  日期：2012.10.24

  An efficient synthetic route to an A1/A2-difunctionalized pillar[5]arene containing resolvable planar chirality has been developed and the arene employed as a strut in the synthesis of P5A-MOE-1, which has been demonstrated by X-ray powder diffraction analysis-supported by modeling-to be isoreticular with MOF-5. This metal-organic framework has an active domain that expresses good and selective uptake of neutral and positively charged electron-poor aromatic guests, which effect color changes of the cubic crystals from faint yellow to deep orange, arising from charge transfer between the guests and active domain of P5A-MOE-1.
• Enantiopure pillar[5]arene active domains within a homochiral metal–organic framework
  作者：Nathan L. Strutt、Huacheng Zhang、J. Fraser Stoddart

  DOI：10.1039/c4cc02559h

  日期：——

  Enantiopure struts containing pillar[5]arenes incorporating planar chirality have been linked together with Zn4O clusters in order to create metal–organic frameworks that include homochiral active domains and so have the potential to act as a solid support in chiral chromatography.

  含有柱[5]烷并环的具有平面手性的对映纯支柱与Zn4O簇相连，形成金属-有机框架，其中包含同手性活性域，因此有望在手性色谱中发挥坚实的支撑作用。