(2,4,6-trimethylphenyl)B(C₆H₄)₂C(H)C(H)(p-C₆Me₄)C(H)C(H)B(C₆H₄)₂(2,4,6-trimethylphenyl) | 1414141-88-0

• 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: (2,4,6-trimethylphenyl)B(C₆H₄)₂C(H)C(H)(p-C₆Me₄)C(H)C(H)B(C₆H₄)₂(2,4,6-trimethylphenyl)
• 英文别名: (mesityl)B(C₆H₄)₂C(H)C(H)(p-C₆Me₄)C(H)C(H)B(C₆H₄)₂(mesityl)；(Mes)B(C₆H₄)₂C(H)C(H)(p-C₆Me₄)C(H)C(H)B(C₆H₄)₂(Mes)；5-[(E)-2-[2,3,5,6-tetramethyl-4-[(E)-2-[10-(2,4,6-trimethylphenyl)boranthren-5-yl]ethenyl]phenyl]ethenyl]-10-(2,4,6-trimethylphenyl)boranthrene
• CAS: 1414141-88-0
• 化学式: C₅₆H₅₄B₄
• 分子量: 770.289
• InChiKey: IDGGSRSTUZCVGR-QAVVBOBSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.15
• 重原子数：
  60
• 可旋转键数：
  6
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  (2,4,6-trimethylphenyl)B(C₆H₄)₂BH 、 1,4-diethynyl-2,3,5,6-tetramethylbenzene 以 正己烷 、 甲苯 为溶剂， 反应 1.0h， 以65%的产率得到(2,4,6-trimethylphenyl)B(C₆H₄)₂C(H)C(H)(p-C₆Me₄)C(H)C(H)B(C₆H₄)₂(2,4,6-trimethylphenyl)
  参考文献：
  名称：

  Influence of the Bridging Elements on the Optical Properties of Linked 9,10-Dihydro-9,10-diboraanthracenes

  摘要：

  Starting from the monofunctionalized 9,10-dihydro-9,10-diboraanthracene derivatives MesB(C6H4)(2)BX (X = H, Br), the bridged systems MesB(C6H4)(2)B-L-B(C6H4)(2)BMes have been synthesized with L = -C(H)=C(H)(p-C6Me4)C(H)=C(H)- (5), -C C(p-C6Me4)C C- (6), and -(p-C6H4)(p-C6Me4)(p-C6H4)- (7). The compounds were characterized by NMR, IR, UV/vis, and fluorescence spectroscopy. The vinyl- and phenylboranes 5 and 7 are pale yellow solids, whereas the alkynylborane 6 possesses a bright yellow color. The emission maxima of 5-7 in toluene are lambda(max)(em) 477, 460, and 461 nm with quantum yields phi(f) of 0.02, 0.30, and 0.04, respectively. Alkynylborane 6 was found to be the least air- and moisture-sensitive of the three derivatives.

  DOI：

  10.1021/om300990z

文献信息

• Influence of the Bridging Elements on the Optical Properties of Linked 9,10-Dihydro-9,10-diboraanthracenes
  作者：Estera Januszewski、Michael Bolte、Hans-Wolfram Lerner、Matthias Wagner

  DOI：10.1021/om300990z

  日期：2012.12.10

  Starting from the monofunctionalized 9,10-dihydro-9,10-diboraanthracene derivatives MesB(C6H4)(2)BX (X = H, Br), the bridged systems MesB(C6H4)(2)B-L-B(C6H4)(2)BMes have been synthesized with L = -C(H)=C(H)(p-C6Me4)C(H)=C(H)- (5), -C C(p-C6Me4)C C- (6), and -(p-C6H4)(p-C6Me4)(p-C6H4)- (7). The compounds were characterized by NMR, IR, UV/vis, and fluorescence spectroscopy. The vinyl- and phenylboranes 5 and 7 are pale yellow solids, whereas the alkynylborane 6 possesses a bright yellow color. The emission maxima of 5-7 in toluene are lambda(max)(em) 477, 460, and 461 nm with quantum yields phi(f) of 0.02, 0.30, and 0.04, respectively. Alkynylborane 6 was found to be the least air- and moisture-sensitive of the three derivatives.