Benzol-tricarbonsaeure-1,3,5-triheptadecylester | 120207-16-1

• 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: Benzol-tricarbonsaeure-1,3,5-triheptadecylester
• 英文别名: triheptadecyl benzene-1,3,5-tricarboxylate；Triheptadecyl benzene-1,3,5-tricarboxylate
• CAS: 120207-16-1
• 化学式: C₆₀H₁₀₈O₆
• 分子量: 925.514
• InChiKey: UNYCWJKONWRKTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.4
• 重原子数：
  66
• 可旋转键数：
  54
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-十七烷醇 、 1,3,5-苯三甲酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 120.0h， 以63.2%的产率得到Benzol-tricarbonsaeure-1,3,5-triheptadecylester
  参考文献：
  名称：

  Additive Perturbed Molecular Assembly in Two-Dimensional Crystals: Differentiating Kinetic and Thermodynamic Pathways

  摘要：

  During attempts to produce novel two-dimensional cocrystals by coadsorbing components in a binary mixture, the formation of a metastable form was observed in analogy to the phenomenon of additive-induced polymorph formation reported in three-dimensional crystallization. Mechanistic in-sights into this phenomenon were gained through the use of scanning tunneling microscopy and several adsorbate/additive combinations. One additive plays a critical role in forming a disordered assembly through a process that is primarily kinetic whereas another additive thermodynamically stabilized an intermediate form, resulting in interrupting a phase transformation to a more stable form. These additive effects elucidate one of the potential pathways to kinetically isolate a metastable polymorph formed during cocrystallization in three-dimensional crystallization.

  DOI：

  10.1021/ja210933h

文献信息

• Additive Perturbed Molecular Assembly in Two-Dimensional Crystals: Differentiating Kinetic and Thermodynamic Pathways
  作者：Seokhoon Ahn、Adam J. Matzger

  DOI：10.1021/ja210933h

  日期：2012.2.15

  During attempts to produce novel two-dimensional cocrystals by coadsorbing components in a binary mixture, the formation of a metastable form was observed in analogy to the phenomenon of additive-induced polymorph formation reported in three-dimensional crystallization. Mechanistic in-sights into this phenomenon were gained through the use of scanning tunneling microscopy and several adsorbate/additive combinations. One additive plays a critical role in forming a disordered assembly through a process that is primarily kinetic whereas another additive thermodynamically stabilized an intermediate form, resulting in interrupting a phase transformation to a more stable form. These additive effects elucidate one of the potential pathways to kinetically isolate a metastable polymorph formed during cocrystallization in three-dimensional crystallization.