4'-(5-Benzyloxy-pentyloxy)-biphenyl-4-carboxylic acid 4-(1-propyl-butoxycarbonyl)-phenyl ester | 484691-96-5

• 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
• 英文名称: 4'-(5-Benzyloxy-pentyloxy)-biphenyl-4-carboxylic acid 4-(1-propyl-butoxycarbonyl)-phenyl ester
• CAS: 484691-96-5
• 化学式: C₃₉H₄₄O₆
• 分子量: 608.775
• InChiKey: BBFGVUHVMIPRAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.46
• 重原子数：
  45.0
• 可旋转键数：
  18.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4'-(5-Benzyloxy-pentyloxy)-biphenyl-4-carboxylic acid 4-(1-propyl-butoxycarbonyl)-phenyl ester 在 palladium on activated charcoal 氢气 、 焦磷酸硫胺素 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 生成 (4-Heptan-4-yloxycarbonylphenyl) 4-[4-[5-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)pentoxy]phenyl]benzoate
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of Achiral and Chiral Esters with High Tilted Synclinic and Anticlinic Phases

  摘要：

  Two series of three ring esters with chiral chain (derivative of (S)-octanol-2) and achiral chain (the swallow type) with high tilled synclinic and anticlinic phases were chosen to studies. The aim of presented studies was to find how the changes of different molecule units influence the mesomorphic properties of the compounds (temperatures, enthalpies and the sequence of phase transitions) and to find members with the best properties for mixture formulation. The compounds were studied by polarising microscope, differential scanning calorimetry, miscibility and X-ray diffraction methods.

  DOI：

  10.1080/15421400490435224
• 作为产物：
  描述：

  5-benzyloxypentyl benzenesulfonate 在 吡啶 、 4-二甲氨基吡啶 、 potassium carbonate 作用下， 以 丙酮 、 甲苯 为溶剂， 生成 4'-(5-Benzyloxy-pentyloxy)-biphenyl-4-carboxylic acid 4-(1-propyl-butoxycarbonyl)-phenyl ester
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of Achiral and Chiral Esters with High Tilted Synclinic and Anticlinic Phases

  摘要：

  Two series of three ring esters with chiral chain (derivative of (S)-octanol-2) and achiral chain (the swallow type) with high tilled synclinic and anticlinic phases were chosen to studies. The aim of presented studies was to find how the changes of different molecule units influence the mesomorphic properties of the compounds (temperatures, enthalpies and the sequence of phase transitions) and to find members with the best properties for mixture formulation. The compounds were studied by polarising microscope, differential scanning calorimetry, miscibility and X-ray diffraction methods.

  DOI：

  10.1080/15421400490435224