1,4-bis((4-((trimethylsilyl)ethynyl)phenyl)ethynyl)benzene | 919076-61-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,4-bis((4-((trimethylsilyl)ethynyl)phenyl)ethynyl)benzene
• 英文别名: 1,4-Bis[4-(trimethylsilylethynyl)phenylethynyl]benzene；trimethyl-[2-[4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
• CAS: 919076-61-2
• 化学式: C₃₂H₃₀Si₂
• 分子量: 470.761
• InChiKey: GTAXKHNJLXWXLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.94
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,4-bis((4-((trimethylsilyl)ethynyl)phenyl)ethynyl)benzene 在 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 6.0h， 生成 1,4-bis{2-(4-ethynylphenyl)ethynyl}benzene
  参考文献：
  名称：

  Signal Ratio Amplification via Modulation of Resonance Energy Transfer:  Proof of Principle in an Emission Ratiometric Hg(II) Sensor

  摘要：

  Boradiazaindacene dyads designed as energy transfer casettes can be modified to signal cation concentrations ratiometrically. If the energy transfer efficiency is increased via changing spectral overlap on cation binding, an enhancement of emission signal ratios can be obtained. A larger range of ratios results in highly improved sensitivity to analyte concentrations. We demonstrate this approach in a de novo design of a novel and highly selective ratiometric chemosensor for Hg(II) ions.

  DOI：

  10.1021/ja066144g
• 作为产物：
  描述：

  2-methyl-4-(4-((trimethylsilyl)ethynyl)phenyl)but-3-yn-2-ol 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 、 sodium hydroxide 作用下， 以 甲苯 为溶剂， 反应 0.5h， 生成 1,4-bis((4-((trimethylsilyl)ethynyl)phenyl)ethynyl)benzene
  参考文献：
  名称：

  Simplifying the conductance profiles of molecular junctions: the use of the trimethylsilylethynyl moiety as a molecule–gold contact

  摘要：

  金属|分子|金属接头的电导率受到分子-基底接触的强烈影响。对于给定的分子结构，经常观察到多个电导值，并将其归因于分子两端接触的不同结合模式。包含三甲基硅乙炔末端（–CCSiMe3）的共轭分子在金基底上的I(s)测量中，仅给出单一的电导值，该值与相同分子骨架的硫醇和胺基接触组在与低配位表面位点结合时观察到的值相似。

  DOI：

  10.1039/c2dt31825c

文献信息

• Simplifying the conductance profiles of molecular junctions: the use of the trimethylsilylethynyl moiety as a molecule–gold contact
  作者：Santiago Marqués-González、Dmitry S. Yufit、Judith A. K. Howard、Santiago Martín、Henrry M. Osorio、Víctor M. García-Suárez、Richard J. Nichols、Simon J. Higgins、Pilar Cea、Paul J. Low

  DOI：10.1039/c2dt31825c

  日期：——

  Conductance across a metal|molecule|metal junction is strongly influenced by the molecule–substrate contacts, and for a given molecular structure, multiple conductance values are frequently observed and ascribed to distinct binding modes of the contact at each of the molecular termini. Conjugated molecules containing a trimethylsilylethynyl terminus, –CCSiMe3 give exclusively a single conductance value in I(s) measurements on gold substrates, the value of which is similar to that observed for the same molecular backbone with thiol and amine based contacting groups when bound to under-coordinated surface sites.

  金属|分子|金属接头的电导率受到分子-基底接触的强烈影响。对于给定的分子结构，经常观察到多个电导值，并将其归因于分子两端接触的不同结合模式。包含三甲基硅乙炔末端（–CCSiMe3）的共轭分子在金基底上的I(s)测量中，仅给出单一的电导值，该值与相同分子骨架的硫醇和胺基接触组在与低配位表面位点结合时观察到的值相似。
• Signal Ratio Amplification via Modulation of Resonance Energy Transfer:  Proof of Principle in an Emission Ratiometric Hg(II) Sensor
  作者：Ali Coskun、Engin U. Akkaya

  DOI：10.1021/ja066144g

  日期：2006.11.1

  Boradiazaindacene dyads designed as energy transfer casettes can be modified to signal cation concentrations ratiometrically. If the energy transfer efficiency is increased via changing spectral overlap on cation binding, an enhancement of emission signal ratios can be obtained. A larger range of ratios results in highly improved sensitivity to analyte concentrations. We demonstrate this approach in a de novo design of a novel and highly selective ratiometric chemosensor for Hg(II) ions.