4,4'-didodecyloxy-1,1'-binaphthyl | 19053-27-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4,4'-didodecyloxy-1,1'-binaphthyl
• 英文别名: 4,4'-Bis--1,1'-binaphthyl；1-Dodecoxy-4-(4-dodecoxynaphthalen-1-yl)naphthalene；1-dodecoxy-4-(4-dodecoxynaphthalen-1-yl)naphthalene
• CAS: 19053-27-1
• 化学式: C₄₄H₆₂O₂
• 分子量: 622.975
• InChiKey: VDCCLLUCLQPHFN-UHFFFAOYSA-N

物化性质

• 熔点：
  131 °C
• 沸点：
  699.0±50.0 °C(Predicted)
• 密度：
  0.982±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  17.2
• 重原子数：
  46
• 可旋转键数：
  25
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4,4'-联[1-萘酚] 、 溴代十二烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以18%的产率得到4,4'-didodecyloxy-1,1'-binaphthyl
  参考文献：
  名称：

  Molecular Mechanism of Anomalous Increase in the Helical Pitch of Cholesteric Liquid Crystals Induced by Achiral Dopants

  摘要：

  A dopant-induced anomalous increase in the helical pitch of dicholesteryl 10,12-docosadiynedioate 1 is explained by generation of smectic clusters in the cholesteric phase where the dopants act as promoters of smectic domains. The dopants, having a mesogenic core and the proper length of alkyl chains on both their molecular sides, such as 4,4'-dialkylazobenzenes, 4,4'-dialkylazoxybenzenes and 4,4'-dialkylbiphenyls, considerably increase the pitch. However, dopants having benzene or a binaphthyl structure in the molecular center, an alkyl chain at one side of the molecules and Z-isomers of azobenzene and azoxybenzene derivatives, slightly decrease the pitch by acting as impurities that decrease the transition temperature of the host. An X-ray diffraction study of the cholesterics revealed that the pitch increases with an increase in size and amount of the smectic domains induced by the appropriate dopants.

  DOI：

  10.1021/jp034916e

文献信息

• Molecular Mechanism of Anomalous Increase in the Helical Pitch of Cholesteric Liquid Crystals Induced by Achiral Dopants
  作者：Masatoshi Kidowaki、Masaya Moriyama、Momoyo Wada、Nobuyuki Tamaoki

  DOI：10.1021/jp034916e

  日期：2003.11.1

  A dopant-induced anomalous increase in the helical pitch of dicholesteryl 10,12-docosadiynedioate 1 is explained by generation of smectic clusters in the cholesteric phase where the dopants act as promoters of smectic domains. The dopants, having a mesogenic core and the proper length of alkyl chains on both their molecular sides, such as 4,4'-dialkylazobenzenes, 4,4'-dialkylazoxybenzenes and 4,4'-dialkylbiphenyls, considerably increase the pitch. However, dopants having benzene or a binaphthyl structure in the molecular center, an alkyl chain at one side of the molecules and Z-isomers of azobenzene and azoxybenzene derivatives, slightly decrease the pitch by acting as impurities that decrease the transition temperature of the host. An X-ray diffraction study of the cholesterics revealed that the pitch increases with an increase in size and amount of the smectic domains induced by the appropriate dopants.