2,5,8,11-tetraoxadocosan-22-amine | 1002094-05-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,5,8,11-tetraoxadocosan-22-amine
• CAS: 1002094-05-4
• 化学式: C₁₈H₃₉NO₄
• 分子量: 333.512
• InChiKey: NOQBAEXHKCWFCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.15
• 重原子数：
  23.0
• 可旋转键数：
  20.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  62.94
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2,5,8,11-tetraoxadocosan-22-amine 、 甲苯-2,4-二异氰酸酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以86%的产率得到1,1'-(4-methyl-1,3-phenylene)bis(3-(2,5,8,11-tetraoxadocosan-22-yl)urea)
  参考文献：
  名称：

  Both Water- and Organo-Soluble Supramolecular Polymer Stabilized by Hydrogen-Bonding and Hydrophobic Interactions

  摘要：

  A new bis-urea based supramolecular polymer is reported and shown by viscosimetry, neutron scattering (SANS), and calorimetry (ITC) to self-assemble in a wide range of solvents, encompassing the polarity scale from water to toluene. The presence of both hydrogen-bonding and hydrophobic groups ensures that self-assembly occurs in water, aprotic polar solvents, and nonpolar solvents. Both the driving force for the assembly and the exact structure of the filaments is solvent dependent, but whatever the solvent, long rigid filaments are formed in dynamic equilibrium with the monomer.

  DOI：

  10.1021/ja074296l
• 作为产物：
  描述：

  2-(2,5,8,11-tetraoxadocosan-22-yl)isoindoline-1,3-dione 在 甲胺 作用下， 反应 72.0h， 以71%的产率得到2,5,8,11-tetraoxadocosan-22-amine
  参考文献：
  名称：

  Both Water- and Organo-Soluble Supramolecular Polymer Stabilized by Hydrogen-Bonding and Hydrophobic Interactions

  摘要：

  A new bis-urea based supramolecular polymer is reported and shown by viscosimetry, neutron scattering (SANS), and calorimetry (ITC) to self-assemble in a wide range of solvents, encompassing the polarity scale from water to toluene. The presence of both hydrogen-bonding and hydrophobic groups ensures that self-assembly occurs in water, aprotic polar solvents, and nonpolar solvents. Both the driving force for the assembly and the exact structure of the filaments is solvent dependent, but whatever the solvent, long rigid filaments are formed in dynamic equilibrium with the monomer.

  DOI：

  10.1021/ja074296l