2-[4-(4-propylcyclohexyl)cyclohexyl]-5,6-dihydro-4H-1,3-dithiin-1-ium;trifluoromethanesulfonate | 358732-12-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 2-[4-(4-propylcyclohexyl)cyclohexyl]-5,6-dihydro-4H-1,3-dithiin-1-ium;trifluoromethanesulfonate
• CAS: 358732-12-4
• 化学式: CF₃O₃S*C₁₉H₃₃S₂
• 分子量: 474.673
• InChiKey: CMXUYHXEDRINTI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  57.2
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-[4-(4-propylcyclohexyl)cyclohexyl]-5,6-dihydro-4H-1,3-dithiin-1-ium;trifluoromethanesulfonate 在 copper(l) iodide 、 caesium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.67h， 生成
  参考文献：
  名称：

  N-terminal strategy (N1–N4) toward high performance liquid crystal materials

  摘要：

  Liquid crystal materials have a variety of applications in many fields such as display techniques as well as photonics and optics. However, only few design principles have been disclosed on liquid crystal materials with different N-heterocycles as the terminal groups, which hinder the development of the heterocyclic liquid crystals. Here, a strategy of molecular design for N-heterocyclic liquid crystal materials is reported. On the basis of this strategy, a series of convenient N-heterocycles such as pyrrole, pyrazole, imidazole, 1,2,3-triazole, 1,2,4-triazole, 1,2,3,4-tetrazole were applied to synthesize the novel liquid crystals. Most of them have proved to exhibit good mesomorphic behaviors which make them excellent components in the mixture of the LCDs materials. The simple attachment of N-heterocyclic units to the liquid crystal molecules through a mild reaction condition will provide a good prospect for the design of N-heterocyclic liquid crystals. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.11.013
• 作为产物：
  描述：

  1,3-丙二硫醇 、 4-(4-propylcyclohexyl)cyclohexanecarboxylic acid 在 三氟甲磺酸 作用下， 以 异辛烷 、 甲苯 为溶剂， 反应 3.0h， 以85.5 g的产率得到2-[4-(4-propylcyclohexyl)cyclohexyl]-5,6-dihydro-4H-1,3-dithiin-1-ium;trifluoromethanesulfonate
  参考文献：
  名称：

  [EN] CHIRAL COMPOUNDS I
  [FR] COMPOSES CHIRAUX I

  摘要：

  本发明涉及式(I)的手性化合物，其中R?1，R2，A1，A2，X1，X2，Z3¿和m具有权利要求书中给出的含义，涉及至少包含式(I)的手性化合物的液晶混合物，可通过聚合聚合物化可混合物获得手性线性或交联液晶聚合物，涉及在液晶显示器，活性和被动光学元件，粘合剂，具有各向异性机械性能的合成树脂，化妆品和制药组合物，诊断，液晶颜料，用于装饰和安全应用，非线性光学，光学信息存储或作为手性掺杂剂中使用式(I)的手性化合物，混合物和聚合物，以及液晶显示器，其中包括至少一种包含式(I)的手性化合物的混合物。

  公开号：

  WO2002006196A1

文献信息

• N-terminal strategy (N1–N4) toward high performance liquid crystal materials
  作者：Fengying Hong、Zhengce Xia、Dezhao Zhu、Hongxiang Wu、Jianhui Liu、Zhuo Zeng

  DOI：10.1016/j.tet.2015.11.013

  日期：2016.3

  Liquid crystal materials have a variety of applications in many fields such as display techniques as well as photonics and optics. However, only few design principles have been disclosed on liquid crystal materials with different N-heterocycles as the terminal groups, which hinder the development of the heterocyclic liquid crystals. Here, a strategy of molecular design for N-heterocyclic liquid crystal materials is reported. On the basis of this strategy, a series of convenient N-heterocycles such as pyrrole, pyrazole, imidazole, 1,2,3-triazole, 1,2,4-triazole, 1,2,3,4-tetrazole were applied to synthesize the novel liquid crystals. Most of them have proved to exhibit good mesomorphic behaviors which make them excellent components in the mixture of the LCDs materials. The simple attachment of N-heterocyclic units to the liquid crystal molecules through a mild reaction condition will provide a good prospect for the design of N-heterocyclic liquid crystals. (C) 2015 Elsevier Ltd. All rights reserved.
• [EN] CHIRAL COMPOUNDS I<br/>[FR] COMPOSES CHIRAUX I
  申请人：MERCK PATENT GMBH

  公开号：WO2002006196A1

  公开（公告）日：2002-01-24

  The invention relates to chiral compounds of formula (I) wherein R?1, R2, A1, A2, X1, X2, Z3¿ and m have the meaning given in claim 1, to liquid crystalline mixtures comprising at least one chiral compound of formula (I), to chiral linear or crosslinked liquid crystalline polymers obtainable by polymerizing a polymerizable mixture comprising at least one chiral compound of formula (I), to the use of chiral compounds of formula (I) and mixtures and polymers obtained thereof in liquid crystal displays, active and passive optical elements, adhesives, synthetic resins with anisotropic mechanical properties, cosmetic and pharmaceutical compositions, diagnostics, liquid crystal pigments, for decorative and security applications, nonlinear optics, optical information storage or as chiral dopants, and to a liquid crystal display comprising a mixture comprising at least one chiral compound of formula (I).

  本发明涉及式(I)的手性化合物，其中R?1，R2，A1，A2，X1，X2，Z3¿和m具有权利要求书中给出的含义，涉及至少包含式(I)的手性化合物的液晶混合物，可通过聚合聚合物化可混合物获得手性线性或交联液晶聚合物，涉及在液晶显示器，活性和被动光学元件，粘合剂，具有各向异性机械性能的合成树脂，化妆品和制药组合物，诊断，液晶颜料，用于装饰和安全应用，非线性光学，光学信息存储或作为手性掺杂剂中使用式(I)的手性化合物，混合物和聚合物，以及液晶显示器，其中包括至少一种包含式(I)的手性化合物的混合物。