[4-[2-(4-octoxyphenyl)ethynyl]phenyl] 3-nitro-4-[(2R)-octan-2-yl]oxybenzoate | 1215034-93-7

• 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: [4-[2-(4-octoxyphenyl)ethynyl]phenyl] 3-nitro-4-[(2R)-octan-2-yl]oxybenzoate
• CAS: 1215034-93-7
• 化学式: C₃₇H₄₅NO₆
• 分子量: 599.767
• InChiKey: DNQBUWQQGATOMM-GDLZYMKVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.8
• 重原子数：
  44
• 可旋转键数：
  20
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  90.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-iodophenyl (R)-3-nitro-4-(octan-2-yloxy)benzoate 、 4-octyloxyphenylacetylene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 [4-[2-(4-octoxyphenyl)ethynyl]phenyl] 3-nitro-4-[(2R)-octan-2-yl]oxybenzoate
  参考文献：
  名称：

  Fluoro- and Nitro-Substitution Effect of Some Chiral Compounds

  摘要：

  Four chiral compounds have been synthesized. Their phase transition behavior was investigated by differential scanning calorimetry and polarized optical microscopy. Two of them show monotropic smectic C* phases. Moreover, one of them shows an enantiotropic blue phase. The lateral fluoro-substitution strongly suppressed the formation of SmC* phases and decreased clearing points. Although the introduction of nitro group in the core decreased the length-diameter ratio, the temperature range of monotropic SmC* phase did not change much.

  DOI：

  10.1080/15421400802406463

文献信息

• Fluoro- and Nitro-Substitution Effect of Some Chiral Compounds
  作者：Yongmin Guo、Lifeng Bi、Baozong Li、Yonggang Yang、Jianxun Wen

  DOI：10.1080/15421400802406463

  日期：2008.10.27

  Four chiral compounds have been synthesized. Their phase transition behavior was investigated by differential scanning calorimetry and polarized optical microscopy. Two of them show monotropic smectic C* phases. Moreover, one of them shows an enantiotropic blue phase. The lateral fluoro-substitution strongly suppressed the formation of SmC* phases and decreased clearing points. Although the introduction of nitro group in the core decreased the length-diameter ratio, the temperature range of monotropic SmC* phase did not change much.