3,4-Bis(octadecyloxy)benzoyl chloride | 528881-61-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,4-Bis(octadecyloxy)benzoyl chloride
• 英文别名: 3,4-dioctadecoxybenzoyl chloride
• CAS: 528881-61-0
• 化学式: C₄₃H₇₇ClO₃
• 分子量: 677.536
• InChiKey: AFPOWAOCZMXYDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.3
• 重原子数：
  47
• 可旋转键数：
  37
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  、 3,4-Bis(octadecyloxy)benzoyl chloride 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以73%的产率得到Fe[C60(C6H4-(OCO-C6H3-(OC14H29)2-3,4)-4)5]Cp
  参考文献：
  名称：

  Synthesis and Structural, Electrochemical, and Stacking Properties of Conical Molecules Possessing Buckyferrocene on the Apex

  摘要：

  A series of conical molecules featuring a [60]fullerene/ferrocene hybrid and five aralkyl side chains (Fe[C60{C6H4-(OCO-C6H3-(OR)2-3,4)-4}5]Cp) have been synthesized and examined for their structural and electrochemical properties as well as their ability to form supramolecular structures in crystals and liquid crystals. When the R group on the side is a methyl group, the compound forms crystals in which the dipolar conical molecules are stacked head-to-tail to form a columnar structure. When the R group is as long as a C18H38 group, the compound forms liquid crystals. Oxidation of the liquid crystalline compound by an aminium salt [(4-BrC6H4)3N][SbCl6] produces the corresponding paramagnetic Fe(III) compound that also exhibits liquid crystalline properties.

  DOI：

  10.1021/ja062757h

文献信息

• Synthesis and Structural, Electrochemical, and Stacking Properties of Conical Molecules Possessing Buckyferrocene on the Apex
  作者：Yutaka Matsuo、Ayako Muramatsu、Yuko Kamikawa、Takashi Kato、Eiichi Nakamura

  DOI：10.1021/ja062757h

  日期：2006.8.1

  A series of conical molecules featuring a [60]fullerene/ferrocene hybrid and five aralkyl side chains (Fe[C60C6H4-(OCO-C6H3-(OR)2-3,4)-4}5]Cp) have been synthesized and examined for their structural and electrochemical properties as well as their ability to form supramolecular structures in crystals and liquid crystals. When the R group on the side is a methyl group, the compound forms crystals in which the dipolar conical molecules are stacked head-to-tail to form a columnar structure. When the R group is as long as a C18H38 group, the compound forms liquid crystals. Oxidation of the liquid crystalline compound by an aminium salt [(4-BrC6H4)3N][SbCl6] produces the corresponding paramagnetic Fe(III) compound that also exhibits liquid crystalline properties.