3-bromo-5-trimethylsilylbenzoic acid | 476195-73-0

• 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: 3-bromo-5-trimethylsilylbenzoic acid
• CAS: 476195-73-0
• 化学式: C₁₀H₁₃BrO₂Si
• 分子量: 273.202
• InChiKey: CPSMGJBJQKFIRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.69
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-bromo-5-trimethylsilylbenzoic acid 在 一氯化碘 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 dodecyl 3-iodo-5-bromobenzoate
  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：

  1,3,5-三溴苯 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 7.17h， 生成 3-bromo-5-trimethylsilylbenzoic acid
  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.