S-(8-((2-methoxyethyl)amino)-8-oxooctyl)ethanethioate | 1373504-30-3

• 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: S-(8-((2-methoxyethyl)amino)-8-oxooctyl)ethanethioate
• CAS: 1373504-30-3
• 化学式: C₁₃H₂₅NO₃S
• 分子量: 275.412
• InChiKey: YZMSDZMLNJLYBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.37
• 重原子数：
  18.0
• 可旋转键数：
  11.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  S-(8-((2-methoxyethyl)amino)-8-oxooctyl)ethanethioate 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以95%的产率得到8-mercapto-N-(2-methoxyethyl)octanamide
  参考文献：
  名称：

  Lanthanide-Based NMR: A Tool To Investigate Component Distribution in Mixed-Monolayer-Protected Nanoparticles

  摘要：

  Gd3+ ions, once bound to the monolayer of organic molecules coating the surface of gold nanoparticles, produce a paramagnetic relaxation enhancement (PRE) that broadens and eventually cancels the signals of the nuclear spins located nearby (within 1.6 nm distance). In the case of nanoparticles coated with mixed monolayers, the signals arising from the different coating molecules experience different PRE, depending on their distance from the binding site. As a consequence, observation of the signal broadening patterns provides direct information on the monolayer organization.

  DOI：

  10.1021/ja211030y
• 作为产物：
  描述：

  8-溴辛酸 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 84.0h， 生成 S-(8-((2-methoxyethyl)amino)-8-oxooctyl)ethanethioate
  参考文献：
  名称：

  Lanthanide-Based NMR: A Tool To Investigate Component Distribution in Mixed-Monolayer-Protected Nanoparticles

  摘要：

  Gd3+ ions, once bound to the monolayer of organic molecules coating the surface of gold nanoparticles, produce a paramagnetic relaxation enhancement (PRE) that broadens and eventually cancels the signals of the nuclear spins located nearby (within 1.6 nm distance). In the case of nanoparticles coated with mixed monolayers, the signals arising from the different coating molecules experience different PRE, depending on their distance from the binding site. As a consequence, observation of the signal broadening patterns provides direct information on the monolayer organization.

  DOI：

  10.1021/ja211030y