10-十一碳烯酸甲基-d3酯 | 774610-27-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 10-十一碳烯酸甲基-d3酯
• 英文名称: methyl-d3 10-undecenoate
• 英文别名: Trideuteriomethyl undec-10-enoate
• CAS: 774610-27-4
• 化学式: C₁₂H₂₂O₂
• 分子量: 201.282
• InChiKey: KISVAASFGZJBCY-BMSJAHLVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  14
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  10-十一碳烯酸甲基-d3酯 在 dihydrogen hexachloroplatinate 、 三氯硅烷 作用下， 以 异丙醇 为溶剂， 反应 18.0h， 以85%的产率得到11-(trichlorosilyl)-undecanoic acid methyl-d3 ester
  参考文献：
  名称：

  Chromium(VI) Binding to Functionalized Silica/Water Interfaces Studied by Nonlinear Optical Spectroscopy

  摘要：

  Organic adlayers can significantly alter the interactions of environmentally relevant surfaces with their surroundings. We present the first second harmonic and broadband sum frequency generation (SHG and BBSFG) study that illustrates how organic surface functional groups can control the mobility of the priority pollutant chromium(VI) in soil: Cr(VI) binds to ester- and acid-functionalized surfaces but not to alkane-functionalized surfaces. The implications with respect to toxic metal transport across organic adlayers at liquid-solid interfaces are that aqueous Cr(VI) can be retained by polar groups common in biopolymers but not by hydrophobic groups common in surfactants.

  DOI：

  10.1021/ja048063v
• 作为产物：
  描述：

  2-十一烯酸 在 草酰氯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 10-十一碳烯酸甲基-d3酯
  参考文献：
  名称：

  Chromium(VI) Binding to Functionalized Silica/Water Interfaces Studied by Nonlinear Optical Spectroscopy

  摘要：

  Organic adlayers can significantly alter the interactions of environmentally relevant surfaces with their surroundings. We present the first second harmonic and broadband sum frequency generation (SHG and BBSFG) study that illustrates how organic surface functional groups can control the mobility of the priority pollutant chromium(VI) in soil: Cr(VI) binds to ester- and acid-functionalized surfaces but not to alkane-functionalized surfaces. The implications with respect to toxic metal transport across organic adlayers at liquid-solid interfaces are that aqueous Cr(VI) can be retained by polar groups common in biopolymers but not by hydrophobic groups common in surfactants.

  DOI：

  10.1021/ja048063v