3-bromo-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}aniline | 936844-09-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-bromo-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}aniline
• 英文别名: 3-Bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline；3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
• CAS: 936844-09-6
• 化学式: C₁₃H₂₀BrNO₄
• 分子量: 334.21
• InChiKey: OQFSOLXEYAAOAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 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：

  3-bromo-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}aniline 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 吡啶 、 四丁基氟化铵 、 三乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 3.08h， 生成 N-(3-ethynyl-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}phenyl)-2,2,2-trifluoroacetamide
  参考文献：
  名称：

  Covalent Assembly of Molecular Ladders

  摘要：

  [n]-Rung molecular ladders (n = 3-6) have been prepared by reacting discrete, complimentary m-phenylene ethynylene oligomers using imine formation/exchange. The nanostructures, which in the largest case measure approximately 1.6 x 6.2 nm, have been characterized by MALDI mass spectrometry and gel permeation chromatography. Although the ladder structure is a significant component in each case, the formation of higher molecular weight byproducts becomes more pronounced as the length increases. These structures represent an important first step toward the synthesis of larger, more sophisticated two-dimensional molecular grids.

  DOI：

  10.1021/ja0690013
• 作为产物：
  描述：

  三甘醇单甲醚 在 氢氧化钾 、 tin(ll) chloride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 3-bromo-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}aniline
  参考文献：
  名称：

  Covalent Assembly of Molecular Ladders

  摘要：

  [n]-Rung molecular ladders (n = 3-6) have been prepared by reacting discrete, complimentary m-phenylene ethynylene oligomers using imine formation/exchange. The nanostructures, which in the largest case measure approximately 1.6 x 6.2 nm, have been characterized by MALDI mass spectrometry and gel permeation chromatography. Although the ladder structure is a significant component in each case, the formation of higher molecular weight byproducts becomes more pronounced as the length increases. These structures represent an important first step toward the synthesis of larger, more sophisticated two-dimensional molecular grids.

  DOI：

  10.1021/ja0690013

文献信息

• Covalent Assembly of Molecular Ladders
  作者：C. Scott Hartley、Erin L. Elliott、Jeffrey S. Moore

  DOI：10.1021/ja0690013

  日期：2007.4.1

  [n]-Rung molecular ladders (n = 3-6) have been prepared by reacting discrete, complimentary m-phenylene ethynylene oligomers using imine formation/exchange. The nanostructures, which in the largest case measure approximately 1.6 x 6.2 nm, have been characterized by MALDI mass spectrometry and gel permeation chromatography. Although the ladder structure is a significant component in each case, the formation of higher molecular weight byproducts becomes more pronounced as the length increases. These structures represent an important first step toward the synthesis of larger, more sophisticated two-dimensional molecular grids.