2-[4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-cyclopenta[def]phenanthren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 1035304-40-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 2-[4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-cyclopenta[def]phenanthren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 英文别名: 2-[15,15-Dimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane；2-[15,15-dimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS: 1035304-40-5
• 化学式: C₂₉H₃₆B₂O₄
• 分子量: 470.224
• InChiKey: FRDVCMIXOIRSSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.23
• 重原子数：
  35
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-cyclopenta[def]phenanthren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 、 7-bromo-9,9,9',9'-tetramethyl-2,2'-bi-4H-cyclopenta[def]phenanthrene 在 四(三苯基膦)钯 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 以56%的产率得到3,10-Bis[10-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
  参考文献：
  名称：

  Novel cyclopenta[def]phenanthrene based blue emitting oligomers for OLEDs

  摘要：

  Novel blue emitters, oligo-MCPPs (tri-MCPP, tetra-MCPP, and penta-MCPP), have been synthesized and characterized. The introduction of cyclopenta[def]phenantbrene (CPP) units into the structure of oligo-MCPPs gave LEDs with high efficiency and pure blue emission. UV-visible absorption spectra of the thin films of these compounds appear at 333-354 nm, and their maximum PL emission at 416-447 nm. Multilayer organic EL devices with oligo-MCPPs as an emitting layer showed the turn-on voltage of about 4.8 V, the maximum brightness of 1076 cd/m(2) (at 8.2 V), the maximum luminescence efficiency of 0.81 cd/A, and the CIE coordinates of (0.17, 0.14) with blue color. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.015
• 作为产物：
  描述：

  2,6-dibromo-4,4-dimethyl-4H-cyclopenta[def]phenanthrene 、 联硼酸频那醇酯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride potassium acetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-[4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-cyclopenta[def]phenanthren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  参考文献：
  名称：

  Novel cyclopenta[def]phenanthrene based blue emitting oligomers for OLEDs

  摘要：

  Novel blue emitters, oligo-MCPPs (tri-MCPP, tetra-MCPP, and penta-MCPP), have been synthesized and characterized. The introduction of cyclopenta[def]phenantbrene (CPP) units into the structure of oligo-MCPPs gave LEDs with high efficiency and pure blue emission. UV-visible absorption spectra of the thin films of these compounds appear at 333-354 nm, and their maximum PL emission at 416-447 nm. Multilayer organic EL devices with oligo-MCPPs as an emitting layer showed the turn-on voltage of about 4.8 V, the maximum brightness of 1076 cd/m(2) (at 8.2 V), the maximum luminescence efficiency of 0.81 cd/A, and the CIE coordinates of (0.17, 0.14) with blue color. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.015

文献信息

• Novel cyclopenta[def]phenanthrene based blue emitting oligomers for OLEDs
  作者：Suhee Song、Youngeup Jin、Kwanghyun Kim、Sun Hee Kim、Yoon Bo Shim、Kwanghee Lee、Hongsuk Suh

  DOI：10.1016/j.tetlet.2008.04.015

  日期：2008.5

  Novel blue emitters, oligo-MCPPs (tri-MCPP, tetra-MCPP, and penta-MCPP), have been synthesized and characterized. The introduction of cyclopenta[def]phenantbrene (CPP) units into the structure of oligo-MCPPs gave LEDs with high efficiency and pure blue emission. UV-visible absorption spectra of the thin films of these compounds appear at 333-354 nm, and their maximum PL emission at 416-447 nm. Multilayer organic EL devices with oligo-MCPPs as an emitting layer showed the turn-on voltage of about 4.8 V, the maximum brightness of 1076 cd/m(2) (at 8.2 V), the maximum luminescence efficiency of 0.81 cd/A, and the CIE coordinates of (0.17, 0.14) with blue color. (C) 2008 Elsevier Ltd. All rights reserved.