tetraethyl 2,2',2'',2'''-((((2,5-dicyano-1,4-phenylene)bis(ethene-2,1-diyl))bis(4,1-phenylene))bis(azanetriyl))tetraacetate | 1268367-06-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: tetraethyl 2,2',2'',2'''-((((2,5-dicyano-1,4-phenylene)bis(ethene-2,1-diyl))bis(4,1-phenylene))bis(azanetriyl))tetraacetate
• CAS: 1268367-06-1
• 化学式: C₄₀H₄₂N₄O₈
• 分子量: 706.795
• InChiKey: IELZRORXBCDYEY-UHFFFAOYSA-N

物化性质

• 熔点：
  194.3-195.4 °C
• 沸点：
  850.9±65.0 °C(predicted)
• 密度：
  1.26±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.64
• 重原子数：
  52.0
• 可旋转键数：
  18.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  159.26
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  tetraethyl 2,2',2'',2'''-((((2,5-dicyano-1,4-phenylene)bis(ethene-2,1-diyl))bis(4,1-phenylene))bis(azanetriyl))tetraacetate 在 甲醇 、 sodium hydroxide 作用下， 以95%的产率得到
  参考文献：
  名称：

  New water-soluble dicyano-stilbene dyes: One and two-photon fluorescence and photo-response to BSA

  摘要：

  Two novel quadrapolar stilbene fluorescent dyes with CN groups (DCNs) are reported. Photophysical properties such as fluorescence, intermolecular charge transfer, two-photon absorption action cross section (delta Phi) and fluorescence-response to bovine serum albumin (BSA) are investigated and discussed. The fluorescence emission is red-shifted and quenched with the increase in polarity of solvents. In aqueous buffer (pH 7.0), compound 1b has a large blue shift (74 nm) and 37-fold fluorescence enhancement when interacts with BSA. The response is noticeable by naked eyes. Cations, anions and DNA have no such responses. It is resulted from the change of environmental polarity from aqueous solution to hydrophobic cage in protein, and sequentially, the change in the effect of excited intermolecular charge transfer. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2010.09.005
• 作为产物：
  描述：

  ethyl 2-[N-ethoxyformyl methyl-N-(4-formylphenyl)]aminoacetate 、 1,4-bis(diethylphosphorylmethyl)-2,5-dicyanobenzene 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 13.0h， 以32%的产率得到tetraethyl 2,2',2'',2'''-((((2,5-dicyano-1,4-phenylene)bis(ethene-2,1-diyl))bis(4,1-phenylene))bis(azanetriyl))tetraacetate
  参考文献：
  名称：

  New water-soluble dicyano-stilbene dyes: One and two-photon fluorescence and photo-response to BSA

  摘要：

  Two novel quadrapolar stilbene fluorescent dyes with CN groups (DCNs) are reported. Photophysical properties such as fluorescence, intermolecular charge transfer, two-photon absorption action cross section (delta Phi) and fluorescence-response to bovine serum albumin (BSA) are investigated and discussed. The fluorescence emission is red-shifted and quenched with the increase in polarity of solvents. In aqueous buffer (pH 7.0), compound 1b has a large blue shift (74 nm) and 37-fold fluorescence enhancement when interacts with BSA. The response is noticeable by naked eyes. Cations, anions and DNA have no such responses. It is resulted from the change of environmental polarity from aqueous solution to hydrophobic cage in protein, and sequentially, the change in the effect of excited intermolecular charge transfer. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2010.09.005