7-[2-(3-methoxycarbonylpropoxy)phenoxy]heptanoic acid methyl ester | 798557-95-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 7-[2-(3-methoxycarbonylpropoxy)phenoxy]heptanoic acid methyl ester
• 英文别名: Methyl 7-[2-(4-methoxy-4-oxobutoxy)phenoxy]heptanoate；methyl 7-[2-(4-methoxy-4-oxobutoxy)phenoxy]heptanoate
• CAS: 798557-95-6
• 化学式: C₁₉H₂₈O₆
• 分子量: 352.428
• InChiKey: PEMHOKOFIKRKSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-[2-(3-methoxycarbonylpropoxy)phenoxy]heptanoic acid methyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 4-(2-(6-Carboxyhexyloxy)phenoxy)butyric acid
  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：

  7-溴庚酸甲酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 7-[2-(3-methoxycarbonylpropoxy)phenoxy]heptanoic acid methyl ester
  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.