2-碘-5-[2-[2-(2-甲氧基乙氧基)乙氧基]乙氧基]苯胺 | 835629-18-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-碘-5-[2-[2-(2-甲氧基乙氧基)乙氧基]乙氧基]苯胺
• 英文名称: 2-iodo-5-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-phenylamine
• 英文别名: 2-Iodo-5-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)aniline；2-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
• CAS: 835629-18-0
• 化学式: C₁₃H₂₀INO₄
• 分子量: 381.211
• InChiKey: NKDWEWFRKFTLJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  62.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-碘-5-[2-[2-(2-甲氧基乙氧基)乙氧基]乙氧基]苯胺 在 盐酸 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 sodium nitrite 作用下， 以 乙腈 为溶剂， 反应 0.5h， 生成 3,3-diethyl-1-[2-trimethylsilylethynyl-5-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-phenyl]-1-triazene
  参考文献：
  名称：

  Solution ¹H NMR Confirmation of Folding in Short o-Phenylene Ethynylene Oligomers

  摘要：

  Oligomers based on an o-phenylene ethynylene (oPE) backbone with polar substituents have been synthesized using Sonogashira methods. Folding of these extremely short oligomers was confirmed via 1D and 2D (NOESY) NMR methods. Utilizing electron-rich and electron-poor phenylene building blocks, variations of these oPE oligomers have been synthesized to determine the folded stability of pi-rich vs pi-poor vs pi-rich pi-poor systems. Slight variations in temperature offer a route, aside from solvent denaturation, to probe the stability of the folded structure. This is the first report of an NMR solution characterization of folding for a PE backbone without hydrogen bonds.

  DOI：

  10.1021/ja053530+
• 作为产物：
  描述：

  4-碘-3-硝基苯酚 在 偶氮二甲酸二异丙酯 、 三氯化铁 、 甲烷 、 三苯基膦 、 肼 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 8.0h， 生成 2-碘-5-[2-[2-(2-甲氧基乙氧基)乙氧基]乙氧基]苯胺
  参考文献：
  名称：

  Solution ¹H NMR Confirmation of Folding in Short o-Phenylene Ethynylene Oligomers

  摘要：

  Oligomers based on an o-phenylene ethynylene (oPE) backbone with polar substituents have been synthesized using Sonogashira methods. Folding of these extremely short oligomers was confirmed via 1D and 2D (NOESY) NMR methods. Utilizing electron-rich and electron-poor phenylene building blocks, variations of these oPE oligomers have been synthesized to determine the folded stability of pi-rich vs pi-poor vs pi-rich pi-poor systems. Slight variations in temperature offer a route, aside from solvent denaturation, to probe the stability of the folded structure. This is the first report of an NMR solution characterization of folding for a PE backbone without hydrogen bonds.

  DOI：

  10.1021/ja053530+

文献信息

• Solution ¹H NMR Confirmation of Folding in Short <i>o</i>-Phenylene Ethynylene Oligomers
  作者：Ticora V. Jones、Morris M. Slutsky、Roberto Laos、Tom F. A. de Greef、Gregory N. Tew

  DOI：10.1021/ja053530+

  日期：2005.12.1

  Oligomers based on an o-phenylene ethynylene (oPE) backbone with polar substituents have been synthesized using Sonogashira methods. Folding of these extremely short oligomers was confirmed via 1D and 2D (NOESY) NMR methods. Utilizing electron-rich and electron-poor phenylene building blocks, variations of these oPE oligomers have been synthesized to determine the folded stability of pi-rich vs pi-poor vs pi-rich pi-poor systems. Slight variations in temperature offer a route, aside from solvent denaturation, to probe the stability of the folded structure. This is the first report of an NMR solution characterization of folding for a PE backbone without hydrogen bonds.