| 1193093-93-4

• 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
• CAS: 1193093-93-4
• 化学式: C₄₈H₆₀NO₇
• 分子量: 763.007
• InChiKey: KXVJKZBUCNKMIU-CRKOEVGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.3
• 重原子数：
  56
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  75.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (4-((tert-butyldimethylsilyl)oxy)phenyl)magnesium bromide 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 40.37h， 生成
  参考文献：
  名称：

  Preparation and Properties ofC₂-Symmetric Organic Radical Compounds Showing Ferroelectric Liquid Crystal Properties

  摘要：

  We have synthesized a new class of liquid crystalline (LC) organic radical compounds 2, which are the C-2-symmetric derivatives of the previously reported compounds 1 containing a chiral nitroxide unit and an ester group in the mesogen core, and their LC properties have been fully characterized. The enantiomerically enriched 2 showed N* and SmC* phases. Their LC phase transition behavior is similar to that of 1, whereas the ferroelectric properties of the SmC* phase of (2S,5S)-2 differed from those of (2S,5S)-1. We discuss the origin of this difference in terms of their molecular structures optimized by molecular orbital calculations.

  DOI：

  10.1080/15421400903065325

文献信息

• Preparation and Properties of<i>C</i>₂-Symmetric Organic Radical Compounds Showing Ferroelectric Liquid Crystal Properties
  作者：Naohiko Ikuma、Yoshiaki Uchida、Rui Tamura、Katsuaki Suzuki、Jun Yamauchi、Yoshio Aoki、Hiroyuki Nohira

  DOI：10.1080/15421400903065325

  日期：2009.9.3

  We have synthesized a new class of liquid crystalline (LC) organic radical compounds 2, which are the C-2-symmetric derivatives of the previously reported compounds 1 containing a chiral nitroxide unit and an ester group in the mesogen core, and their LC properties have been fully characterized. The enantiomerically enriched 2 showed N* and SmC* phases. Their LC phase transition behavior is similar to that of 1, whereas the ferroelectric properties of the SmC* phase of (2S,5S)-2 differed from those of (2S,5S)-1. We discuss the origin of this difference in terms of their molecular structures optimized by molecular orbital calculations.