<1,1-d2>stearyl acetate | 134457-65-1

• 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: <1,1-d2>stearyl acetate
• 英文别名: [1,1-d2]stearyl acetate
• CAS: 134457-65-1
• 化学式: C₂₀H₄₀O₂
• 分子量: 314.521
• InChiKey: OIZXRZCQJDXPFO-FKUWIZNHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.81
• 重原子数：
  22.0
• 可旋转键数：
  17.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  <1,1-d2>stearyl acetate 以80%的产率得到<1,1-d2>-1-octadecene
  参考文献：
  名称：

  A study of the structure and dynamics of dimethyloctadecylsilyl-modified silica using wide-line 2H NMR techniques

  摘要：

  The structure and dynamics of dimethyloctadecylsilyl-modified silica gel (C18-silica) were studied by using solid-state H-2 NMR techniques. In order to reproduce with a theoretical model the H-2 line shapes that were observed for the C18-silica samples, it was necessary to assume that a variety of environments are present on the C18-silica surface and that this heterogeneity results in different details of the motion of silane groups that are bonded to different regions of the C18-silica surface. H-2 spectra that were taken on the C18-silica samples at temperatures below room temperature appear to be superpositions of two line shapes, indicating that some silane groups move with a simple two-site jump motion, along with others that move with a more complex distribution of motions. At -50-degrees-C, the addition of wetting liquids can affect the H-2 line shape; different liquids can have dramatically different effects on the observed H-2 line shapes. Simple surface structures for Cl8-silica are proposed that are consistent with the NMR data observed in this study.

  DOI：

  10.1021/ja00017a001
• 作为产物：
  描述：

  硬酯酸甲酯C18 在 lithium aluminium deuteride 作用下， 以 乙醚 为溶剂， 反应 1.25h， 生成 <1,1-d2>stearyl acetate
  参考文献：
  名称：

  A study of the structure and dynamics of dimethyloctadecylsilyl-modified silica using wide-line 2H NMR techniques

  摘要：

  The structure and dynamics of dimethyloctadecylsilyl-modified silica gel (C18-silica) were studied by using solid-state H-2 NMR techniques. In order to reproduce with a theoretical model the H-2 line shapes that were observed for the C18-silica samples, it was necessary to assume that a variety of environments are present on the C18-silica surface and that this heterogeneity results in different details of the motion of silane groups that are bonded to different regions of the C18-silica surface. H-2 spectra that were taken on the C18-silica samples at temperatures below room temperature appear to be superpositions of two line shapes, indicating that some silane groups move with a simple two-site jump motion, along with others that move with a more complex distribution of motions. At -50-degrees-C, the addition of wetting liquids can affect the H-2 line shape; different liquids can have dramatically different effects on the observed H-2 line shapes. Simple surface structures for Cl8-silica are proposed that are consistent with the NMR data observed in this study.

  DOI：

  10.1021/ja00017a001