Tetraethyl (5-bromo-2-(octyloxy)-1,3-phenylene)bis(methylene)diphosphonate | 1213792-45-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Tetraethyl (5-bromo-2-(octyloxy)-1,3-phenylene)bis(methylene)diphosphonate
• 英文别名: 5-bromo-1,3-bis(diethoxyphosphorylmethyl)-2-octoxybenzene
• CAS: 1213792-45-0
• 化学式: C₂₄H₄₃BrO₇P₂
• 分子量: 585.453
• InChiKey: DHIXFTLGXJXMFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  34
• 可旋转键数：
  20
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (E)-3-(4-(di-p-tolylamino)phenyl)acrylaldehyde 、 Tetraethyl (5-bromo-2-(octyloxy)-1,3-phenylene)bis(methylene)diphosphonate 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 以85%的产率得到N-(4-((1E,3E)-4-(5-bromo-3-((1E,3E)-4-(4-(di-p-tolylamino)phenyl)buta-1,3-dienyl)-2-(octyloxy)phenyl)buta-1,3-dienyl)phenyl)-4-methyl-N-p-tolylbenzenamine
  参考文献：
  名称：

  Synthesis and photovoltaic properties of new branchlike organic dyes containing benzothiadiazole or triphenylamine-linked consecutive vinylenes units

  摘要：

  Two novel branchlike organic dyes (WD1 and FD1) based on 4,7-bis-(4-hexylthiophen-2-yl)benzo[1,2,5]thiadiazole (DTBT) and triphenylamine, containing vinylenes and consecutive vinylenes as pi-conjugated unit, respectively, were designed and synthesized for dye-sensitized solar cells (DSSCs). The photophysical, electrochemical and photovoltaic properties of the dyes were investigated. The introduction of consecutive vinylenes into two branches of the FD1 molecule leads to a remarkably red-shifted absorption and higher molar extinction coefficient compared with the reference dye D2. The DSSCs based on FD1 and WD1 dyes exhibited the power conversion efficiency of 7.04% and 2.18% under AM1.5G irradiation (100 mW/cm(2)). (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.01.009