Hexanedioic acid bis-[4-(4-hexadecyloxy-benzoyloxy)-phenyl] ester | 765954-17-4

• 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: Hexanedioic acid bis-[4-(4-hexadecyloxy-benzoyloxy)-phenyl] ester
• 英文别名: Bis(4-{[4-(hexadecyloxy)benzoyl]oxy}phenyl) hexanedioate；bis[4-(4-hexadecoxybenzoyl)oxyphenyl] hexanedioate
• CAS: 765954-17-4
• 化学式: C₆₄H₉₀O₁₀
• 分子量: 1019.41
• InChiKey: KVRLEEWDEGSHKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22
• 重原子数：
  74
• 可旋转键数：
  47
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-十六烷氧基苯甲酸 在 4-二甲氨基吡啶 、 磺酰氯 、 N,N'-二环己基碳二亚胺 作用下， 生成 Hexanedioic acid bis-[4-(4-hexadecyloxy-benzoyloxy)-phenyl] ester
  参考文献：
  名称：

  Symmetrical Dimer Liquid Crystals with Tilted Smectic Phases

  摘要：

  Three series of symmetrical dimer liquid crystals, i.e. bis(dodecyloxybenzoyloxybenzoyloxy)alkanes (BC12) and bis(dodecyloxy- and hexadecyloxybenzoyloxyphenyl) alkanedicarboxylates (QC12 and QC16) with a spacer ranging from, two to eight methylene units, have been synthesized and their thermotropic properties were characterized. The isotropization temperatures show a pronounced odd - even effect as a function of the parity of the spacers. Most compounds exhibit a SmC mesophase. The QC12 and QC16 compounds, with on eight methylene spacer, possess an additional low temperature tilled SmI or SmF mesophase. Changing the orientation of the ester group as in the BC12 series results in a dramatic change of the thermotropic behavior.

  DOI：

  10.1080/15421400490435017

文献信息

• Symmetrical Dimer Liquid Crystals with Tilted Smectic Phases
  作者：Remko Achten、Antonius T. M. Marcelis、Arie Koudijs、Ernst J. R. Sudhölter

  DOI：10.1080/15421400490435017

  日期：2004.1

  Three series of symmetrical dimer liquid crystals, i.e. bis(dodecyloxybenzoyloxybenzoyloxy)alkanes (BC12) and bis(dodecyloxy- and hexadecyloxybenzoyloxyphenyl) alkanedicarboxylates (QC12 and QC16) with a spacer ranging from, two to eight methylene units, have been synthesized and their thermotropic properties were characterized. The isotropization temperatures show a pronounced odd - even effect as a function of the parity of the spacers. Most compounds exhibit a SmC mesophase. The QC12 and QC16 compounds, with on eight methylene spacer, possess an additional low temperature tilled SmI or SmF mesophase. Changing the orientation of the ester group as in the BC12 series results in a dramatic change of the thermotropic behavior.