11-(2-hydroxyphenoxy)undecanoic acid dodecylamide | 798557-93-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 11-(2-hydroxyphenoxy)undecanoic acid dodecylamide
• 英文别名: N-Dodecyl-11-(2-hydroxyphenoxy)undecanamide；N-dodecyl-11-(2-hydroxyphenoxy)undecanamide
• CAS: 798557-93-4
• 化学式: C₂₉H₅₁NO₃
• 分子量: 461.729
• InChiKey: WRXYSKRBOKCFQN-UHFFFAOYSA-N

物化性质

• 沸点：
  607.1±25.0 °C(Predicted)
• 密度：
  0.960±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  33
• 可旋转键数：
  23
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  12-bromo-dodecanoic acid dodecylamine 、 11-(2-hydroxyphenoxy)undecanoic acid dodecylamide 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 120.0h， 以67%的产率得到12-[2-(10-dodecylcarbamoyldecyloxy)phenoxy]dodecanoic acid dodecylamide
  参考文献：
  名称：

  Design and STM Investigation of Intramolecular Folding in Self-Assembled Monolayers on the Surface

  摘要：

  The rational design of catechol bis-amides rendered molecular structures that fold into beta-turn mimics at the interface of HOPG and 1-octanol as demonstrated by STM. These self-assembled monolayers provide a prototypical model for linear sequences containing more turn mimics, which will allow for true synthetic surface confined foldamers.

  DOI：

  10.1021/ja046124j
• 作为产物：
  描述：

  11-溴十一酰氯 在 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 60.0h， 生成 11-(2-hydroxyphenoxy)undecanoic acid dodecylamide
  参考文献：
  名称：

  Design and STM Investigation of Intramolecular Folding in Self-Assembled Monolayers on the Surface

  摘要：

  The rational design of catechol bis-amides rendered molecular structures that fold into beta-turn mimics at the interface of HOPG and 1-octanol as demonstrated by STM. These self-assembled monolayers provide a prototypical model for linear sequences containing more turn mimics, which will allow for true synthetic surface confined foldamers.

  DOI：

  10.1021/ja046124j

文献信息

• Design and STM Investigation of Intramolecular Folding in Self-Assembled Monolayers on the Surface
  作者：Norbert Schuurmans、Hiroshi Uji-i、Wael Mamdouh、Frans C. De Schryver、Ben L. Feringa、Jan van Esch、Steven De Feyter

  DOI：10.1021/ja046124j

  日期：2004.11.1

  The rational design of catechol bis-amides rendered molecular structures that fold into beta-turn mimics at the interface of HOPG and 1-octanol as demonstrated by STM. These self-assembled monolayers provide a prototypical model for linear sequences containing more turn mimics, which will allow for true synthetic surface confined foldamers.