1,1-dimethyl-3,4-diphenyl-2-(4-biphenyl-2,2':6',2''-terpyridine)-5-(p-bromophenyl)silole | 1383581-82-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1,1-dimethyl-3,4-diphenyl-2-(4-biphenyl-2,2':6',2''-terpyridine)-5-(p-bromophenyl)silole
• 英文别名: 4-[4-[4-[5-(4-bromophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
• CAS: 1383581-82-5
• 化学式: C₅₁H₃₈BrN₃Si
• 分子量: 800.872
• InChiKey: KTRSMBWMPGZNIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.62
• 重原子数：
  56.0
• 可旋转键数：
  8.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  38.67
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1,1-dimethyl-3,4-diphenyl-2-(4-biphenyl-2,2':6',2''-terpyridine)-5-(p-bromophenyl)silole 、 3,4-二甲氧基苯硼酸 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 72.0h， 以65%的产率得到
  参考文献：
  名称：

  Zn2+-selective fluorescent turn-on chemosensor based on terpyridine-substituted siloles

  摘要：

  Two terpyridine-containing siloles (1 and 2) have been synthesized and their optical and metal sensing properties have been investigated in this work. 1 and 2 display a high selectivity for Zn2+ in comparison with alkali and alkaline earth metal ions (Na+, K+, Mg2+, Ca2+) and other transition metal ions (Ba2+, Zn2+, Fe2+, Pb2+, Ni2+, Co2+, Hg2+, Ag+) upon excitation at 380 nm in THF. As being chemosensor, 1 with two terpyridine groups at both ends shows better Zn2+ sensing properties than 2 containing only one terpyridine group at end due to the formation of a metal organic coordination oligomer or polymer. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.04.007
• 作为产物：
  描述：

  4'-(4-溴苯基)-α,α',α''-三吡啶 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 potassium acetate 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 、 二甲基亚砜 为溶剂， 反应 78.0h， 生成 1,1-dimethyl-3,4-diphenyl-2-(4-biphenyl-2,2':6',2''-terpyridine)-5-(p-bromophenyl)silole
  参考文献：
  名称：

  Zn2+-selective fluorescent turn-on chemosensor based on terpyridine-substituted siloles

  摘要：

  Two terpyridine-containing siloles (1 and 2) have been synthesized and their optical and metal sensing properties have been investigated in this work. 1 and 2 display a high selectivity for Zn2+ in comparison with alkali and alkaline earth metal ions (Na+, K+, Mg2+, Ca2+) and other transition metal ions (Ba2+, Zn2+, Fe2+, Pb2+, Ni2+, Co2+, Hg2+, Ag+) upon excitation at 380 nm in THF. As being chemosensor, 1 with two terpyridine groups at both ends shows better Zn2+ sensing properties than 2 containing only one terpyridine group at end due to the formation of a metal organic coordination oligomer or polymer. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.04.007