1-[4-[2-[4-[2-(4-Hexanoylphenyl)phenyl]phenyl]phenyl]phenyl]hexan-1-one | 1123795-07-2

• 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: 1-[4-[2-[4-[2-(4-Hexanoylphenyl)phenyl]phenyl]phenyl]phenyl]hexan-1-one
• CAS: 1123795-07-2
• 化学式: C₄₂H₄₂O₂
• 分子量: 578.794
• InChiKey: UXGSTMUESRGEHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.6
• 重原子数：
  44
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[4-[2-[4-[2-(4-Hexanoylphenyl)phenyl]phenyl]phenyl]phenyl]hexan-1-one 在 吡啶 、 四氯化钛 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 32.0h， 以93%的产率得到
  参考文献：
  名称：

  A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations

  摘要：

  A versatile synthesis of a new class of polyaromatic receptors (stilbenoprismands) containing a Delta-shaped cavity similar to that of the pi-prismand together with an intimately coupled electroactive stilbenoid moiety was accomplished via an efficient intramolecular McMurry coupling reaction. The presence of the Delta-shaped cavity in stilbenoprismands allows an efficient binding of a single silver cation as probed by H-1 NMR spectroscopy. Electron-rich stilbenoprismands undergo a ready oxidation to their highly robust cation-radical and dicationic salts. X-ray structure determination of a representative dicationic stilbenoprismand showed that the charges were largely localized on the tetraarylethylene moiety, which results in a twisting of the ethylenic C=C bond by similar to 35 degrees. Moreover, the electronic coupling among the stilbenoid and pi-prisrnand moieties in various stilbenoprismands was briefly probed by optical methods.

  DOI：

  10.1021/jo802579f
• 作为产物：
  描述：

  2,2''-p-terphenyldiboronic acid 、 4’-溴苯己酮 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 48.0h， 以48%的产率得到1-[4-[2-[4-[2-(4-Hexanoylphenyl)phenyl]phenyl]phenyl]phenyl]hexan-1-one
  参考文献：
  名称：

  A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations

  摘要：

  A versatile synthesis of a new class of polyaromatic receptors (stilbenoprismands) containing a Delta-shaped cavity similar to that of the pi-prismand together with an intimately coupled electroactive stilbenoid moiety was accomplished via an efficient intramolecular McMurry coupling reaction. The presence of the Delta-shaped cavity in stilbenoprismands allows an efficient binding of a single silver cation as probed by H-1 NMR spectroscopy. Electron-rich stilbenoprismands undergo a ready oxidation to their highly robust cation-radical and dicationic salts. X-ray structure determination of a representative dicationic stilbenoprismand showed that the charges were largely localized on the tetraarylethylene moiety, which results in a twisting of the ethylenic C=C bond by similar to 35 degrees. Moreover, the electronic coupling among the stilbenoid and pi-prisrnand moieties in various stilbenoprismands was briefly probed by optical methods.

  DOI：

  10.1021/jo802579f

文献信息

• A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations
  作者：Paromita Debroy、Sergey V. Lindeman、Rajendra Rathore

  DOI：10.1021/jo802579f

  日期：2009.3.6

  A versatile synthesis of a new class of polyaromatic receptors (stilbenoprismands) containing a Delta-shaped cavity similar to that of the pi-prismand together with an intimately coupled electroactive stilbenoid moiety was accomplished via an efficient intramolecular McMurry coupling reaction. The presence of the Delta-shaped cavity in stilbenoprismands allows an efficient binding of a single silver cation as probed by H-1 NMR spectroscopy. Electron-rich stilbenoprismands undergo a ready oxidation to their highly robust cation-radical and dicationic salts. X-ray structure determination of a representative dicationic stilbenoprismand showed that the charges were largely localized on the tetraarylethylene moiety, which results in a twisting of the ethylenic C=C bond by similar to 35 degrees. Moreover, the electronic coupling among the stilbenoid and pi-prisrnand moieties in various stilbenoprismands was briefly probed by optical methods.