methyl 15-cyanopentadeanoate | 198898-36-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 15-cyanopentadeanoate
• 英文别名: Methyl 15-cyanopentadecanoate；methyl 15-cyanopentadecanoate
• CAS: 198898-36-1
• 化学式: C₁₇H₃₁NO₂
• 分子量: 281.439
• InChiKey: NWDLYWNGKGFCQE-UHFFFAOYSA-N

物化性质

• 沸点：
  389.3±15.0 °C(Predicted)
• 密度：
  0.919±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  20
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 15-cyanopentadeanoate 在 lithium hydroxide 、 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 甲醇 、 氯仿 为溶剂， 反应 5.0h， 生成 15-cyanopentadeanoyl chloride
  参考文献：
  名称：

  Stable Room-Temperature Molecular Negative Differential Resistance Based on Molecule−Electrode Interface Chemistry

  摘要：

  We show reproducible, stable negative differential resistance (NDR) at room temperature in molecule-controlled, solvent-free devices, based on reversible changes in molecule-electrode interface properties. The active component is the cyclic disulfide end of a series of molecules adsorbed onto mercury. As this active component is reduced, the Hg-molecule contact is broken, and an insulating barrier at the molecule-electrode interface is formed. Therefore, the alignment of the molecular energy levels, relative to the Fermi levels of the electrodes, is changed. This effect results in a decrease in the current with voltage increase as the reduction process progresses, leading to the so-called NDR behavior. The effect is reproducible and repeatable over more than 50 scans without any reduction in the current. The stability of the system, which is in the "solid state" except for the Hg, is due to the molecular design where long alkyl chains keep the molecules aligned with respect to the Hg electrode, even when they are not bound to it any longer.

  DOI：

  10.1021/ja049584l
• 作为产物：
  描述：

  15-溴十五酸 在 18-冠醚-6 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 乙腈 为溶剂， 反应 42.0h， 生成 methyl 15-cyanopentadeanoate
  参考文献：
  名称：

  Stable Room-Temperature Molecular Negative Differential Resistance Based on Molecule−Electrode Interface Chemistry

  摘要：

  We show reproducible, stable negative differential resistance (NDR) at room temperature in molecule-controlled, solvent-free devices, based on reversible changes in molecule-electrode interface properties. The active component is the cyclic disulfide end of a series of molecules adsorbed onto mercury. As this active component is reduced, the Hg-molecule contact is broken, and an insulating barrier at the molecule-electrode interface is formed. Therefore, the alignment of the molecular energy levels, relative to the Fermi levels of the electrodes, is changed. This effect results in a decrease in the current with voltage increase as the reduction process progresses, leading to the so-called NDR behavior. The effect is reproducible and repeatable over more than 50 scans without any reduction in the current. The stability of the system, which is in the "solid state" except for the Hg, is due to the molecular design where long alkyl chains keep the molecules aligned with respect to the Hg electrode, even when they are not bound to it any longer.

  DOI：

  10.1021/ja049584l