(4-甲氧基苯基)4-(4-羟基丁氧基)苯甲酸酯 | 821798-36-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 中文名称: (4-甲氧基苯基)4-(4-羟基丁氧基)苯甲酸酯
• 英文名称: 4-Methoxyphenyl 4-(4-hydroxybutoxy)benzoate
• 英文别名: (4-methoxyphenyl) 4-(4-hydroxybutoxy)benzoate
• CAS: 821798-36-1
• 化学式: C₁₈H₂₀O₅
• 分子量: 316.354
• InChiKey: LZSQYKXKMYMTLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-碘-1-丁醇 、 4-甲氧苯基(4-羟基苯甲酸)酯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (4-甲氧基苯基)4-(4-羟基丁氧基)苯甲酸酯
  参考文献：
  名称：

  Synthesis and Physical Properties of Ferrocene Derivatives (XXIII) Phase Transition and Unique Molecular Structure of Monosubstituted Ferrocene Derivatives

  摘要：

  The monosubstituted ferrocene derivatives, omega-[4-(4-methoxyphenoxycarbonyl) phenoxy]alkoxycarbonyl ferrocene, were synthesized in order to compare the liquid crystallinity to that of disubstituted ferrocene derivatives, 1,1'-bis[omega-[4-(4-methoxyphenoxycarbonyl) phenoxy] alkoxycarbonyl] ferrocene. Some of the monosubstituted ferrocene derivatives containing relatively longer flexible spacer showed the liquid crystalline phase, nematic and/or smectic phases. The crystal structure of 2-[4-(4-methoxyphenoxycarbonyl) phenoxy] ethoxycarbonyl ferrocene was determined by X-ray diffraction method using a single crystal. The molecular structure revealed a bent structure that is almost a half of "Z'' shaped molecular structure of 1,1'-bis[2-[4-(4-methoxyphenoxycarbonyl)phenoxy]ethoxycarbonyl]ferrocene.

  DOI：

  10.1080/15421400903400829

文献信息

• Synthesis and Physical Properties of Ferrocene Derivatives (XXIII) Phase Transition and Unique Molecular Structure of Monosubstituted Ferrocene Derivatives
  作者：Naotake Nakamura、Kazuya Hiro∗、Masako Nishikawa∗∗、Takashi Okabe∗∗∗、Kenjiro Uno

  DOI：10.1080/15421400903400829

  日期：2010.2.5

  The monosubstituted ferrocene derivatives, omega-[4-(4-methoxyphenoxycarbonyl) phenoxy]alkoxycarbonyl ferrocene, were synthesized in order to compare the liquid crystallinity to that of disubstituted ferrocene derivatives, 1,1'-bis[omega-[4-(4-methoxyphenoxycarbonyl) phenoxy] alkoxycarbonyl] ferrocene. Some of the monosubstituted ferrocene derivatives containing relatively longer flexible spacer showed the liquid crystalline phase, nematic and/or smectic phases. The crystal structure of 2-[4-(4-methoxyphenoxycarbonyl) phenoxy] ethoxycarbonyl ferrocene was determined by X-ray diffraction method using a single crystal. The molecular structure revealed a bent structure that is almost a half of "Z'' shaped molecular structure of 1,1'-bis[2-[4-(4-methoxyphenoxycarbonyl)phenoxy]ethoxycarbonyl]ferrocene.
• Synthesis and Physical Properties of Ferrocene Derivatives (XXV) Liquid Crystallinity of 1,3-Disubstituted Ferrocene Derivatives
  作者：Naotake Nakamura、Shinya Kagawa

  DOI：10.1080/15421406.2011.581526

  日期：2011.10.28

  Liquid crystallinity of 1,3-disubstituted ferrocene derivatives was studied by DSC and polarizing microscope. The name of the derivatives is 1,3-bis[omega-[4-(4-methoxyphenoxycarbonyl)phenoxy]alkyloxycarbonyl]ferrocene. Nine members from n = 2 to 10 were synthesized (n is carbon number of alkyl chain in the sample). All samples except n = 2 and 4 exhibited monotropic nematic liquid crystalline phase. In addition, smectic X (not yet completely identified) was also observed in n = 8 and 10. Liquid crystalline phase transition phenomena were discussed from a viewpoint of molecular shape.