| 220630-00-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 220630-00-2
• 化学式: C₁₆H₂₅N₃O₃
• 分子量: 307.393
• InChiKey: LXLIVAJJQXXHNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.65
• 重原子数：
  22.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  63.49
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 bis-triphenylphosphine-palladium(II) chloride 、 tris-(dibenzylideneacetone)dipalladium(0) 四氢吡咯 、 copper(l) iodide 、 四丁基氟化铵 、 碘甲烷 作用下， 以 四氢呋喃 为溶剂， 反应 34.5h， 生成
  参考文献：
  名称：

  Supramolecular Aggregates of Dendritic Cyclophanes (Dendrophanes) Threaded on Molecular Rods with Steroid Termini

  摘要：

  Multinanometer-sized assemblies with molecular weights exceeding 14 000 are obtained by the threading of two dendritic cyclophanes (dendrophanes) onto molecular rods in which two testosterone termini are attached by rigid spacers to a central phenyl ring bearing two quaternary ammonium side chains. The formation of these structurally defined aggregates, in which the dendrophanes preferentially encapsulate the steroid termini (see picture), is driven by a combination of apolar interactions, hydrophobic desolvation, and ion pairing, and depends strongly on the length of the spacer.

  DOI：

  10.1002/(sici)1521-3773(19981204)37:22<3154::aid-anie3154>3.0.co;2-w
• 作为产物：
  描述：

  N-(4-乙酰基-3-羟基苯基)乙酰胺 在 盐酸 、 水 、 potassium carbonate 、 sodium nitrite 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.5h， 生成
  参考文献：
  名称：

  Supramolecular Aggregates of Dendritic Cyclophanes (Dendrophanes) Threaded on Molecular Rods with Steroid Termini

  摘要：

  Multinanometer-sized assemblies with molecular weights exceeding 14 000 are obtained by the threading of two dendritic cyclophanes (dendrophanes) onto molecular rods in which two testosterone termini are attached by rigid spacers to a central phenyl ring bearing two quaternary ammonium side chains. The formation of these structurally defined aggregates, in which the dendrophanes preferentially encapsulate the steroid termini (see picture), is driven by a combination of apolar interactions, hydrophobic desolvation, and ion pairing, and depends strongly on the length of the spacer.

  DOI：

  10.1002/(sici)1521-3773(19981204)37:22<3154::aid-anie3154>3.0.co;2-w