5'-Ethynyl-3,3'-dinitro-5-phenylethynyl-[2,2']bipyridinyl | 638205-20-6

• 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: 5'-Ethynyl-3,3'-dinitro-5-phenylethynyl-[2,2']bipyridinyl
• 英文别名: 5-ethynyl-3-nitro-2-[3-nitro-5-(2-phenylethynyl)pyridin-2-yl]pyridine
• CAS: 638205-20-6
• 化学式: C₂₀H₁₀N₄O₄
• 分子量: 370.324
• InChiKey: ZSUAKOOZXYOFCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  117
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-乙酰巯基-4-碘苯 、 5'-Ethynyl-3,3'-dinitro-5-phenylethynyl-[2,2']bipyridinyl 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ copper(l) iodide 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以74%的产率得到thioacetic acid S-[4-(3,3'-dinitro-5'-phenylethynyl-[2,2']bipyridinyl-5-ylethynyl)-phenyl] ester
  参考文献：
  名称：

  Synthesis and testing of new end-functionalized oligomers for molecular electronics

  摘要：

  Several new classes of oligomers have been synthesized with functionalities designed to aid in the understanding of molecular device behavior, specifically when molecules are interfaced between proximal electronic probes. The compounds synthesized are series of azobenzenes, bipyridines and oligo(phenylene vinylene)s that bear acetyl-protected thiols for ultimate attachment to metallic surfaces. Some initial electrochemical and solid-state test results are also reported. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.09.004
• 作为产物：
  描述：

  3-硝基-2-(3-硝基吡啶-2-基)吡啶 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 氢溴酸 、 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 28.5h， 生成 5'-Ethynyl-3,3'-dinitro-5-phenylethynyl-[2,2']bipyridinyl
  参考文献：
  名称：

  Synthesis and testing of new end-functionalized oligomers for molecular electronics

  摘要：

  Several new classes of oligomers have been synthesized with functionalities designed to aid in the understanding of molecular device behavior, specifically when molecules are interfaced between proximal electronic probes. The compounds synthesized are series of azobenzenes, bipyridines and oligo(phenylene vinylene)s that bear acetyl-protected thiols for ultimate attachment to metallic surfaces. Some initial electrochemical and solid-state test results are also reported. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.09.004