| 1402919-92-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 1402919-92-9
• 化学式: C₄₉H₅₄O₁₀
• 分子量: 802.962
• InChiKey: JWJZXKVLHTXGGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.15
• 重原子数：
  59.0
• 可旋转键数：
  14.0
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  92.3
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 四(三苯基膦)钯 、 甲酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 6.0h， 以84%的产率得到1,4-dimethoxypillar[4]arene[1]hydroquinone
  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
• 作为产物：
  描述：

  1,4-bis(3-bromopropoxy)benzene 在 三氟化硼乙醚 、 potassium tert-butylate 作用下， 以 二氯甲烷 、 叔丁醇 为溶剂， 反应 12.5h， 生成
  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