Ethyl 11-(carbamoylamino)undecanoate | 188020-72-6

• 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-(carbamoylamino)undecanoate
• CAS: 188020-72-6
• 化学式: C₁₄H₂₈N₂O₃
• 分子量: 272.388
• InChiKey: RCGVPANEKPDJCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 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：
  81.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Ethyl 11-(carbamoylamino)undecanoate 在 氢氧化钾 、 溶剂黄146 、 sodium nitrite 作用下， 以 水 、 甲苯 为溶剂， 反应 0.25h， 生成
  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 作用下， 以 吡啶 、 苯 为溶剂， 反应 4.5h， 生成 Ethyl 11-(carbamoylamino)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.