bis{2-[3,4-bis(undecyloxy)phenyl]ethyl} N-benzyloxycarbonyl-D,L-glutamate | 393104-55-7

• 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: bis{2-[3,4-bis(undecyloxy)phenyl]ethyl} N-benzyloxycarbonyl-D,L-glutamate
• CAS: 393104-55-7
• 化学式: C₇₃H₁₁₉NO₁₀
• 分子量: 1170.75
• InChiKey: WTWMRXAAKXUMBK-UHFFFAOYSA-N

物化性质

• 沸点：
  1035.4±65.0 °C(Predicted)
• 密度：
  1.002±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  20.27
• 重原子数：
  84.0
• 可旋转键数：
  57.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  127.85
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  bis{2-[3,4-bis(undecyloxy)phenyl]ethyl} N-benzyloxycarbonyl-D,L-glutamate 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 3.0h， 以80%的产率得到bis{2-[3,4-bis(undecyloxy)phenyl]ethyl} D,L-glutamate
  参考文献：
  名称：

  摘要：

  Folic acid derivatives having 2-(3,4-dialkoxyphenyl) ethyl moieties have been found to exhibit thermotropic liquid-crystalline behavior. Smectic and discotic phases are observed for these compounds over wide temperature ranges. X-Ray diffraction and infrared measurements show that the formation of the smectic and discotic phases is due to the ribbon-and disk-like structures of the pterin rings of folic acid, respectively. The smectic phase is changed to a hexagonal columnar phase by the addition of alkali metal salts. This behavior is attributed to the change of the hydrogen-bonded structures from ribbon to disk induced by the ion-dipolar interactions.

  DOI：

  10.1039/b103168f
• 作为产物：
  描述：

  3,4-二羟基苯乙酸 在 4-二甲氨基吡啶 、 lithium aluminium tetrahydride 、 硫酸 、 potassium carbonate 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 55.0h， 生成 bis{2-[3,4-bis(undecyloxy)phenyl]ethyl} N-benzyloxycarbonyl-D,L-glutamate
  参考文献：
  名称：

  摘要：

  Folic acid derivatives having 2-(3,4-dialkoxyphenyl) ethyl moieties have been found to exhibit thermotropic liquid-crystalline behavior. Smectic and discotic phases are observed for these compounds over wide temperature ranges. X-Ray diffraction and infrared measurements show that the formation of the smectic and discotic phases is due to the ribbon-and disk-like structures of the pterin rings of folic acid, respectively. The smectic phase is changed to a hexagonal columnar phase by the addition of alkali metal salts. This behavior is attributed to the change of the hydrogen-bonded structures from ribbon to disk induced by the ion-dipolar interactions.

  DOI：

  10.1039/b103168f