(S)-(+)-4-[1-(2-methyl)octyloxy]phenyl benzoate | 569353-65-7

• 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: (S)-(+)-4-[1-(2-methyl)octyloxy]phenyl benzoate
• 英文别名: [4-[(2S)-2-methyloctoxy]phenyl] benzoate
• CAS: 569353-65-7
• 化学式: C₂₂H₂₈O₃
• 分子量: 340.463
• InChiKey: CRKJRDOKVGCNFK-SFHVURJKSA-N

物化性质

• 沸点：
  454.9±28.0 °C(Predicted)
• 密度：
  1.033±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 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：

  (S)-(+)-4-[1-(2-methyl)octyloxy]phenyl benzoate 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以73%的产率得到(S)-(+)-4-[1-(2-methyl)octyloxy]phenol
  参考文献：
  名称：

  An Efficient Strategy for the Synthesis of Chiral Liquid Crystals Using Evans' Methodology

  摘要：

  The synthesis of liquid crystal compound 2 was achieved using Evans' methodology. The strategy was based on three key synthetic reactions: alkylation of chiral amide enolates, Mitsunobu and, finally, esterification. The final compound presents a stable smectic A phase.

  DOI：

  10.1081/scc-120017193
• 作为产物：
  描述：

  4-羟基苯基安息香酸 、 (2S)-2-methyloctan-1-ol 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以57%的产率得到(S)-(+)-4-[1-(2-methyl)octyloxy]phenyl benzoate
  参考文献：
  名称：

  An Efficient Strategy for the Synthesis of Chiral Liquid Crystals Using Evans' Methodology

  摘要：

  The synthesis of liquid crystal compound 2 was achieved using Evans' methodology. The strategy was based on three key synthetic reactions: alkylation of chiral amide enolates, Mitsunobu and, finally, esterification. The final compound presents a stable smectic A phase.

  DOI：

  10.1081/scc-120017193

文献信息

• An Efficient Strategy for the Synthesis of Chiral Liquid Crystals Using Evans' Methodology
  作者：Aloir A. Merlo、Mirele S. Fernandes

  DOI：10.1081/scc-120017193

  日期：2003.1.5

  The synthesis of liquid crystal compound 2 was achieved using Evans' methodology. The strategy was based on three key synthetic reactions: alkylation of chiral amide enolates, Mitsunobu and, finally, esterification. The final compound presents a stable smectic A phase.