[(3S,4S)-1-[4-[(3S,4S)-3,4-bis(dodecylcarbamoyloxy)pyrrolidin-1-yl]-6-(2-phenylmethoxyethoxy)-1,3,5-triazin-2-yl]-4-(dodecylcarbamoyloxy)pyrrolidin-3-yl] N-dodecylcarbamate | 1016892-62-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(3S,4S)-1-[4-[(3S,4S)-3,4-bis(dodecylcarbamoyloxy)pyrrolidin-1-yl]-6-(2-phenylmethoxyethoxy)-1,3,5-triazin-2-yl]-4-(dodecylcarbamoyloxy)pyrrolidin-3-yl] N-dodecylcarbamate
• CAS: 1016892-62-8
• 化学式: C₇₂H₁₂₇N₉O₁₀
• 分子量: 1278.85
• InChiKey: APPJRQVXMCPZBQ-YKIMTJKASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.6
• 重原子数：
  91
• 可旋转键数：
  60
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  217
• 氢给体数：
  4
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  [(3S,4S)-1-[4-[(3S,4S)-3,4-bis(dodecylcarbamoyloxy)pyrrolidin-1-yl]-6-(2-phenylmethoxyethoxy)-1,3,5-triazin-2-yl]-4-(dodecylcarbamoyloxy)pyrrolidin-3-yl] N-dodecylcarbamate 在 palladium dihydroxide 氢气 作用下， 以82%的产率得到
  参考文献：
  名称：

  The triazine ring as a scaffold for the synthesis of new organogelators

  摘要：

  The synthesis of new organogelators based on a triazine nucleus is described together with the analysis of the properties of the main compound 15. This compound revealed an efficient organogelator in both polar and apolar solvents and represents a promising precursor of other functionalized organogelators. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.12.124
• 作为产物：
  描述：

  [(3S,4S)-4-(dodecylcarbamoyloxy)pyrrolidin-3-yl] N-dodecylcarbamate 、 2,4-Dichloro-6-(2-phenylmethoxyethoxy)-1,3,5-triazine 在 N,N-二异丙基乙胺 作用下， 以 甲苯 为溶剂， 反应 0.25h， 以34%的产率得到[(3S,4S)-1-[4-[(3S,4S)-3,4-bis(dodecylcarbamoyloxy)pyrrolidin-1-yl]-6-(2-phenylmethoxyethoxy)-1,3,5-triazin-2-yl]-4-(dodecylcarbamoyloxy)pyrrolidin-3-yl] N-dodecylcarbamate
  参考文献：
  名称：

  The triazine ring as a scaffold for the synthesis of new organogelators

  摘要：

  The synthesis of new organogelators based on a triazine nucleus is described together with the analysis of the properties of the main compound 15. This compound revealed an efficient organogelator in both polar and apolar solvents and represents a promising precursor of other functionalized organogelators. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.12.124