1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl-ethenyl)-9,10-dihydro-9,10-[1',2']benzeno-anthracene | 402489-32-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl-ethenyl)-9,10-dihydro-9,10-[1',2']benzeno-anthracene
• 英文别名: 4,4,5,5-tetramethyl-2-[(E)-2-[6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]ethenyl]-1,3,2-dioxaborolane
• CAS: 402489-32-1
• 化学式: C₃₆H₄₀B₂O₄
• 分子量: 558.333
• InChiKey: DCLBHGFUXJKZNP-FLFKKZLDSA-N

物化性质

• 沸点：
  569.0±60.0 °C(predicted)
• 密度：
  1.16±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.96
• 重原子数：
  42
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,4-bis(nonafluorobutylsulfonoxy)-9,10-dihydro-9,10-[1',2']benzenoanthracene 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 氢氧化钾 、 copper(l) iodide 、 二异丙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 64.5h， 生成 1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl-ethenyl)-9,10-dihydro-9,10-[1',2']benzeno-anthracene
  参考文献：
  名称：

  Conjugated Polymers Containing 2,3-Dialkoxybenzene and Iptycene Building Blocks

  摘要：

  [GRAPHICS]Now poly(phenylene ethynylene)s (PPEs) and poly(phenylene vinylene)s (PPVs) that are highly emissive in solution and thin films were prepared utilizing palladium-catalyzed cross-coupling between new 1,4-dilodo-2,3-dialkoxybenzene- and iptycene-containing monomers. The absorption and emission spectra of the resulting polymers consistently showed a significant blue shift relative to the corresponding polymer analogues containing 2,5-dialkoxyphenylenes.

  DOI：

  10.1021/ol0164886

文献信息

• Conjugated Polymers Containing 2,3-Dialkoxybenzene and Iptycene Building Blocks
  作者：Zhengguo Zhu、Timothy M. Swager

  DOI：10.1021/ol0164886

  日期：2001.11.1

  [GRAPHICS]Now poly(phenylene ethynylene)s (PPEs) and poly(phenylene vinylene)s (PPVs) that are highly emissive in solution and thin films were prepared utilizing palladium-catalyzed cross-coupling between new 1,4-dilodo-2,3-dialkoxybenzene- and iptycene-containing monomers. The absorption and emission spectra of the resulting polymers consistently showed a significant blue shift relative to the corresponding polymer analogues containing 2,5-dialkoxyphenylenes.