ethyl 3,4-bis(octadecyloxy)phenylacetate | 393104-95-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ethyl 3,4-bis(octadecyloxy)phenylacetate
• 英文别名: ethyl 2-(3,4-dioctadecoxyphenyl)acetate
• CAS: 393104-95-5
• 化学式: C₄₆H₈₄O₄
• 分子量: 701.171
• InChiKey: LMDJPZUWSHHDGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.07
• 重原子数：
  50.0
• 可旋转键数：
  39.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ethyl 3,4-bis(octadecyloxy)phenylacetate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以97%的产率得到2-[3,4-bis(octadecyloxy)phenyl]ethanol
  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 硫酸 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 28.0h， 生成 ethyl 3,4-bis(octadecyloxy)phenylacetate
  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