(((2-methyl-1,4-phenylene)bis(oxy))bis(carbonyl))bis(4,1-phenylene) bis(3,4-bis(dodecyloxy)benzoate) | 1253850-68-8

• 英文名称: (((2-methyl-1,4-phenylene)bis(oxy))bis(carbonyl))bis(4,1-phenylene) bis(3,4-bis(dodecyloxy)benzoate)
• CAS: 1253850-68-8
• 化学式: C₈₃H₁₂₀O₁₂
• 分子量: 1309.86
• InChiKey: WDKYLRMCAJMOFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.07
• 重原子数：
  95.0
• 可旋转键数：
  56.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  142.12
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  甲基氢醌 、 4'-[3,4-bis(dodecyloxy)benzoyloxy]benzoic acid 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以30%的产率得到(((2-methyl-1,4-phenylene)bis(oxy))bis(carbonyl))bis(4,1-phenylene) bis(3,4-bis(dodecyloxy)benzoate)
  参考文献：
  名称：

  The influence of lateral apolar substituents on the mesomorphic behaviour of tetracatenar liquid crystals

  摘要：

  Several series of new tetracatenar mesogens consisting of a five-ring aromatic core and bearing one or more apolar lateral substituents in the central benzene ring of the molecule have been synthesized and their mesomorphism is characterized by polarization microscopy, differential scanning calorimetry, and X-ray diffraction methods. Introduction of one, two, or four methyl groups into these tetracatenar mesogens destabilized columnar organization typical of the long-chain homologs, but did not suppress smectic C and nematic phases. Introduction of larger substituents did, however, suppress lamellar organization (C15H31) or mesomorphism (tert-butyl) totally.

  DOI：

  10.1134/s1070363210070194