heptyl N-octadecylcarbamate | 130399-58-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: heptyl N-octadecylcarbamate
• CAS: 130399-58-5
• 化学式: C₂₆H₅₃NO₂
• 分子量: 411.712
• InChiKey: WLRSARCKNGTTQL-UHFFFAOYSA-N

物化性质

• 沸点：
  426.6±13.0 °C(Predicted)
• 密度：
  0.875±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  29
• 可旋转键数：
  24
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  正庚醇 、 异氰酸十八酯 在 三乙烯二胺 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 heptyl N-octadecylcarbamate
  参考文献：
  名称：

  Morphology and Thermal Behavior of Self-Assembling Carbamates

  摘要：

  Hydrogen bond mediated self-assembling carbamates with alkyl side chains of different lengths were investigated with respect to thermal behavior and morphology. The length of the side chain has an influence on the heat of fusion, crystallinity, and crystallite size. Morphologies of samples slowly cooled from the melt and those quenched were different. While plasticizers or clarifiers are usually used to modify the crystalline morphology of materials, we examined the possibility of effecting similar changes by blending any two types of carbamates. Although both the heat of fusion and crystallinity decrease initially with the addition of the second component, they recover beyond a certain composition. The spherulite size also decreases significantly, enhancing the transparency of the sample. Thermal analysis shows that the components of the blend exercise a mutual plasticizer effect, reducing the melting temperatures. The changes in morphology upon blending are not due to a decrease in the extent of hydrogen bonding but can be attributed to the disorder in the packing of the alkyl side chains.

  DOI：

  10.1021/jp035336k

文献信息

• Selective Monocarbamoylation of Symmetrical Diols with Alkyl Halides and Potassium Cyanate Using Phase-Transfer Catalysis
  作者：Mahavir Prashad、John C. Tomesch、William J. Houlihan

  DOI：10.1055/s-1990-26910

  日期：——

  A convenient method for the selective monocarbamoylation of diols by reaction with alkyl isocyanates, generated in situ from alkyl halides and potassium cyanate under phase-transfer catalysis, is described. Under these conditions the ease of reaction shows the following order cis-diols > trans-diols and diols > monoalcohols. An increase in the number of methylene groups between two hydroxyl groups lead to a decrease in product yields. A plausible mechanism to explain these results is proposed.

  一种便捷的方法被描述，用于通过与由烷基卤和氰酸钾在相转移催化下原位生成的烷基异氰酸酯反应，实现对二醇的选择性单氨基甲酸酯化。在这些条件下，反应的容易程度显示以下顺序：顺式二醇 > 反式二醇以及二醇 > 单羟基醇。两个羟基之间甲基链数量的增加会导致产物产量的下降。为了解释这些结果，提出了一个合理的机理。
• PRASHAD, MAHAVIR;TOMESCH, JOHN C.;HOULIHAN, WILLIAM J., LAB. MICROCOMPUT., 9,(1990) N, C. 477-480
  作者：PRASHAD, MAHAVIR、TOMESCH, JOHN C.、HOULIHAN, WILLIAM J.

  DOI：——

  日期：——