2-{[3,4,5-tris(octyloxy)benzoyl]oxy}phenyl 3,4,5-tris(octyloxy)benzoate

• 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: 2-{[3,4,5-tris(octyloxy)benzoyl]oxy}phenyl 3,4,5-tris(octyloxy)benzoate
• 英文别名: [2-(3,4,5-Trioctoxybenzoyl)oxyphenyl] 3,4,5-trioctoxybenzoate；[2-(3,4,5-trioctoxybenzoyl)oxyphenyl] 3,4,5-trioctoxybenzoate
• 化学式: C₆₈H₁₁₀O₁₀
• 分子量: 1087.62
• InChiKey: JGIOWFNGNKQGBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  25.1
• 重原子数：
  78
• 可旋转键数：
  54
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  没食子酸乙酯 在 4-二甲氨基吡啶 、 氢氧化钾 、 potassium carbonate 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 46.0h， 生成 2-{[3,4,5-tris(octyloxy)benzoyl]oxy}phenyl 3,4,5-tris(octyloxy)benzoate
  参考文献：
  名称：

  Gallic esters of 4,5-dinitrocatechol as potential building blocks for thermotropic liquid crystals

  摘要：

  A series of unsubstituted and 1,4-disubstituted gallic catecholates 1, 6 and 7 as possible candidates for wedge-shaped mesogens were prepared starting from the respective benzene derivatives 2a-c and gallic esters 5a-h. The mesomorphic properties were investigated by DSC. However, only the 4,5-dinitro derivatives 1d,f-h with C8H17 and C10H21 to C12H25 alkyl side chains displayed mesophases, as evaluated by fluidity and optical anisotropy. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.07.087

文献信息

• Gallic esters of 4,5-dinitrocatechol as potential building blocks for thermotropic liquid crystals
  作者：Roxana Judele、Sabine Laschat、Angelika Baro、Manfred Nimtz

  DOI：10.1016/j.tet.2006.07.087

  日期：2006.10

  A series of unsubstituted and 1,4-disubstituted gallic catecholates 1, 6 and 7 as possible candidates for wedge-shaped mesogens were prepared starting from the respective benzene derivatives 2a-c and gallic esters 5a-h. The mesomorphic properties were investigated by DSC. However, only the 4,5-dinitro derivatives 1d,f-h with C8H17 and C10H21 to C12H25 alkyl side chains displayed mesophases, as evaluated by fluidity and optical anisotropy. (c) 2006 Elsevier Ltd. All rights reserved.