2,2′,2″,2‴-(pyrene-2,4,7,10-tetrayl)tetrakis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2,2′,2″,2‴-(pyrene-2,4,7,10-tetrayl)tetrakis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
• 英文别名: 4,4,5,5-Tetramethyl-2-[2,7,10-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyren-4-yl]-1,3,2-dioxaborolane；4,4,5,5-tetramethyl-2-[2,7,10-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyren-4-yl]-1,3,2-dioxaborolane
• 化学式: C₄₀H₅₄B₄O₈
• 分子量: 706.108
• InChiKey: ASWBNTDWFJISOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.78
• 重原子数：
  52
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  芘 、 联硼酸频那醇酯 在 4,4'-二甲基-2,2'-联吡啶 、 (1,5-cyclooctadiene)(methoxy)iridium(I) dimer 、 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 96.17h， 生成 2,4,7-tri-Bpinpyrene 、 2,2′,2″,2‴-(pyrene-2,4,7,9-tetrayl)tetrakis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) 、 2,2′,2″,2‴-(pyrene-2,4,7,10-tetrayl)tetrakis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
  参考文献：
  名称：

  Iridium-Catalyzed Borylation of Pyrene: Irreversibility and the Influence of Ligand on Selectivity

  摘要：

  The iridium-catalyzed borylation of pyrene, using 4,4'-dimethyl-2,2'-bipyridine as the ligand, in the presence of t-BuOK, gave a mixture of 2,4,7,9-tetrakis(Bpin)pyrene (c4) and its 2,4,7,10-isomer (m4) in a 2.2:1 ratio, and the selectivity of the Ir-catalyzed borylation of pyrene is kinetically determined and can be influenced to some extent by the nature of the ligand.

  DOI：

  10.1021/jo5024014

文献信息

• Iridium-Catalyzed Borylation of Pyrene: Irreversibility and the Influence of Ligand on Selectivity
  作者：Lei Ji、Katharina Fucke、Shubhankar Kumar Bose、Todd B. Marder

  DOI：10.1021/jo5024014

  日期：2015.1.2

  The iridium-catalyzed borylation of pyrene, using 4,4'-dimethyl-2,2'-bipyridine as the ligand, in the presence of t-BuOK, gave a mixture of 2,4,7,9-tetrakis(Bpin)pyrene (c4) and its 2,4,7,10-isomer (m4) in a 2.2:1 ratio, and the selectivity of the Ir-catalyzed borylation of pyrene is kinetically determined and can be influenced to some extent by the nature of the ligand.