Dodecyl 3-bromo-5-[2-[3-[2-(3-bromo-5-dodecoxycarbonylphenyl)ethynyl]-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]ethynyl]benzoate | 1027302-33-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: Dodecyl 3-bromo-5-[2-[3-[2-(3-bromo-5-dodecoxycarbonylphenyl)ethynyl]-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]ethynyl]benzoate
• CAS: 1027302-33-5
• 化学式: C₅₆H₇₈Br₂O₅Si
• 分子量: 1019.13
• InChiKey: FPDRXRYKLANGMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.73
• 重原子数：
  64
• 可旋转键数：
  35
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Dodecyl 3-bromo-5-[2-[3-[2-(3-bromo-5-dodecoxycarbonylphenyl)ethynyl]-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]ethynyl]benzoate 在 三乙胺 copper(l) iodide 、 四丁基氟化铵 、 三苯基膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 16.25h， 生成 Dodecyl 3-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[2-(3-dodecoxycarbonyl-5-ethynylphenyl)ethynyl]phenyl]ethynyl]-5-ethynylbenzoate
  参考文献：
  名称：

  Hydrogen-Bond-Assisted π-Stacking of Shape-Persistent Cyclophanes

  摘要：

  The pi-stacking interaction between shape-persistent cyclophanes works cooperatively with multiple hydrogen bonding sites to form cyclophane dimers. These findings considerably broaden the applicability of pi-stacking interactions as a driving force in self-assembly chemistry. A gel formation effect was also noticed in one of the cyclophanes.

  DOI：

  10.1021/jo025723a
• 作为产物：
  描述：

  4-氨基苯乙醇 在 三乙胺 咪唑 、 N-溴代丁二酰亚胺(NBS) 、 copper(l) iodide 、 potassium carbonate 、 三苯基膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 亚硝酸异戊酯 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 60.0h， 生成 Dodecyl 3-bromo-5-[2-[3-[2-(3-bromo-5-dodecoxycarbonylphenyl)ethynyl]-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]ethynyl]benzoate
  参考文献：
  名称：

  Hydrogen-Bond-Assisted π-Stacking of Shape-Persistent Cyclophanes

  摘要：

  The pi-stacking interaction between shape-persistent cyclophanes works cooperatively with multiple hydrogen bonding sites to form cyclophane dimers. These findings considerably broaden the applicability of pi-stacking interactions as a driving force in self-assembly chemistry. A gel formation effect was also noticed in one of the cyclophanes.

  DOI：

  10.1021/jo025723a

文献信息

• Hydrogen-Bond-Assisted π-Stacking of Shape-Persistent Cyclophanes
  作者：Chih-Hsiu Lin、James Tour

  DOI：10.1021/jo025723a

  日期：2002.11.1

  The pi-stacking interaction between shape-persistent cyclophanes works cooperatively with multiple hydrogen bonding sites to form cyclophane dimers. These findings considerably broaden the applicability of pi-stacking interactions as a driving force in self-assembly chemistry. A gel formation effect was also noticed in one of the cyclophanes.