1-(4-Ethoxy-phenyl)-2-phenyl-propan-1-one | 138580-26-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1-(4-Ethoxy-phenyl)-2-phenyl-propan-1-one
• 英文别名: 1-(4-Ethoxyphenyl)-2-phenylpropan-1-one
• CAS: 138580-26-4
• 化学式: C₁₇H₁₈O₂
• 分子量: 254.329
• InChiKey: JHXLPRLHZGGISX-UHFFFAOYSA-N

物化性质

• 沸点：
  393.6±17.0 °C(Predicted)
• 密度：
  1.062±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-Ethoxy-phenyl)-2-phenyl-propan-1-one 在 lithium aluminium tetrahydride 、 三氯化铝 作用下， 生成 1-Ethoxy-4-(2-phenylpropyl)benzene
  参考文献：
  名称：

  Helical Twisting Power of New Chiral Dopants Derived from 2–Phenylpropanoic Acid for Nematic Liquid Crystals

  摘要：

  New chiral dopants for nematic liquid crystals were synthesized using optically active 2-phenylpropanoic acid. The magnitude of helical twisting power (HTP) was largely influenced by the linkages between the asymmetric frame and the core moieties. The results of our experiments clearly showed that a steric effect was important to induce a helical macrostructure.

  DOI：

  10.1080/10587250008023863
• 作为产物：
  描述：

  2-苯基丙酸 在 三氯化铝 、 氯化亚砜 作用下， 生成 1-(4-Ethoxy-phenyl)-2-phenyl-propan-1-one
  参考文献：
  名称：

  Helical Twisting Power of New Chiral Dopants Derived from 2–Phenylpropanoic Acid for Nematic Liquid Crystals

  摘要：

  New chiral dopants for nematic liquid crystals were synthesized using optically active 2-phenylpropanoic acid. The magnitude of helical twisting power (HTP) was largely influenced by the linkages between the asymmetric frame and the core moieties. The results of our experiments clearly showed that a steric effect was important to induce a helical macrostructure.

  DOI：

  10.1080/10587250008023863

文献信息

• Importance of β Phenyl Group in Ipso Substitution of Arylvinyl Cations
  作者：Tsugio Kitamura、Shin-ichi Soda、Ichizo Nakamura、Tetsuro Fukuda、Hiroshi Taniguchi

  DOI：10.1246/cl.1991.2195

  日期：1991.12

  Intramolecular and intermolecular ipso substitutions of arylvinyl cations, i.e., α-[p-(2-hydroxyethoxy)phenyl]vinyl cations and α-(p-methoxyphenyl)vinyl cations, were studied with respect to the effect of the β substituent and phenyl group as the β substituent was found to exert a significant influence on the ipso substitution.

  研究了芳基乙烯基阳离子（即 α-[对-(2-羟乙氧基)苯基]乙烯基阳离子和 α-(对-甲氧基苯基)乙烯基阳离子）的分子内和分子间异位取代，发现 β 取代基和苯基对异位取代有显著影响。