ethyl 11-(N-nitrosoureido)undecanoate | 188020-73-7

• 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: ethyl 11-(N-nitrosoureido)undecanoate
• 英文别名: Ethyl 11-[carbamoyl(nitroso)amino]undecanoate
• CAS: 188020-73-7
• 化学式: C₁₄H₂₇N₃O₄
• 分子量: 301.386
• InChiKey: KIEIEFSOYJVCKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  足球烯 、 ethyl 11-(N-nitrosoureido)undecanoate 在 氢氧化钾 作用下， 以 水 、 甲苯 为溶剂， 以43.5%的产率得到
  参考文献：
  名称：

  Preparation and Characterization of Novel Amphiphilic C₆₀ Derivatives

  摘要：

  Amphiphilic C-60 derivatives of[(ethoxycarbonyl)decylene]fullerene and bis[(ethoxycarbonyl)decylene]fullerene, which are used to obtain organized molecular films by the LB technique, were prepared by the reaction of C-60 with diazo compounds. They were characterized by IR, UV-vis, H-1-NMR, C-13-NMR, and FD-MS. Direct evidence confirmed that the [6,5]-fullerenoid is the thermodynamically more stable isomer. It was converted from the arrangement of a [6,6]methanofullerene rather than a reaction product in 6,5 double bonds. A carbene mechanism is suggested for the reaction.

  DOI：

  10.1021/jo9607018
• 作为产物：
  描述：

  11-氨基十一酸 在 硫酸 、 溶剂黄146 、 sodium nitrite 作用下， 以 吡啶 、 水 、 苯 为溶剂， 反应 4.75h， 生成 ethyl 11-(N-nitrosoureido)undecanoate
  参考文献：
  名称：

  Preparation and Characterization of Novel Amphiphilic C₆₀ Derivatives

  摘要：

  Amphiphilic C-60 derivatives of[(ethoxycarbonyl)decylene]fullerene and bis[(ethoxycarbonyl)decylene]fullerene, which are used to obtain organized molecular films by the LB technique, were prepared by the reaction of C-60 with diazo compounds. They were characterized by IR, UV-vis, H-1-NMR, C-13-NMR, and FD-MS. Direct evidence confirmed that the [6,5]-fullerenoid is the thermodynamically more stable isomer. It was converted from the arrangement of a [6,6]methanofullerene rather than a reaction product in 6,5 double bonds. A carbene mechanism is suggested for the reaction.

  DOI：

  10.1021/jo9607018

文献信息

• Preparation and Characterization of Novel Amphiphilic C₆₀ Derivatives
  作者：Chang Cheng Zhu、Yu Xu、Yun Qi Liu、Dao Ben Zhu

  DOI：10.1021/jo9607018

  日期：1997.4.1

  Amphiphilic C-60 derivatives of[(ethoxycarbonyl)decylene]fullerene and bis[(ethoxycarbonyl)decylene]fullerene, which are used to obtain organized molecular films by the LB technique, were prepared by the reaction of C-60 with diazo compounds. They were characterized by IR, UV-vis, H-1-NMR, C-13-NMR, and FD-MS. Direct evidence confirmed that the [6,5]-fullerenoid is the thermodynamically more stable isomer. It was converted from the arrangement of a [6,6]methanofullerene rather than a reaction product in 6,5 double bonds. A carbene mechanism is suggested for the reaction.