1,4:3,6-dianhydro-D-sorbitol-2,5-bis(4-(4-methoxybenzoyloxy)benzoate) | 197663-64-2

• 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: 1,4:3,6-dianhydro-D-sorbitol-2,5-bis(4-(4-methoxybenzoyloxy)benzoate)
• 英文别名: [4-[[(3S,3aR,6R,6aR)-6-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxycarbonyl]phenyl] 4-methoxybenzoate
• CAS: 197663-64-2
• 化学式: C₃₆H₃₀O₁₂
• 分子量: 654.627
• InChiKey: ZOQGSMLTFUCHFF-VWPRMMSESA-N

物化性质

• 沸点：
  807.8±65.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  48
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  142
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  4-acetoxybenzoyl chloride 在 吡啶 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 24.0h， 生成 1,4:3,6-dianhydro-D-sorbitol-2,5-bis(4-(4-methoxybenzoyloxy)benzoate)
  参考文献：
  名称：

  Tuning Helical Twisting Power of Isosorbide-Based Chiral Dopants by Chemical Modifications

  摘要：

  Isosorbide-based chiral dopants (ICD) with various substituent groups were newly synthesized to control their helical twisting powers (HTP). Phase transition behaviors of ICD molecules were first investigated by combined techniques of differential scanning calorimetry, wide-angle X-ray diffraction, and cross-polarized optical microscopy. ICD with n-hexyloxy end groups formed the multiple ordered phases, and those with methoxy or acetoxy end groups exhibited a simple crystal-to-isotropic transition. Energy-minimized chemical conformations of ICD molecules revealed that all the ICDs had twisted conformations and that the extension of the benzoyl ester moiety induced a higher twisted conformation. By varying substitution groups, HTPs of ICDs were controlled from 26.6 to 80.2m-1. Particularly, ICD with an acetoxy end group (ICD-2) showed the largest HTP. It was also realized that by controlling the content of ICD-2 from 3.0 to 4.5mol%, the helical pitch length of cholesteric LC mixture was adjusted to reflect a specific visible light.

  DOI：

  10.1080/15421406.2010.526523

文献信息

• BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA
  申请人：Merck Patent GmbH

  公开号：US20170210990A1

  公开（公告）日：2017-07-27

  The invention relates to bimesogenic compounds of formula I wherein R 11 , R 12 , MG 11 , MG 12 , X 11 , X 12 and Sp 1 have the meaning given in claim 1 , to the use of bimesogenic compounds of formula I in liquid crystal media and particular to flexoelectric liquid crystal devices comprising a liquid crystal medium according to the present invention.

  这项发明涉及式I的双向嵌段化合物，其中R11、R12、MG11、MG12、X11、X12和Sp1的含义如权利要求1所述，涉及在液晶介质中使用式I的双向嵌段化合物，特别涉及包括根据本发明的液晶介质的柔电液晶器件。
• BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA
  申请人：Merck Patent GmbH

  公开号：US20170327741A1

  公开（公告）日：2017-11-16

  The invention relates to bimesogenic compounds of formula I wherein R 11 , R 12 , MG 11 , MG 12 , X 11 , X 12 and Sp 1 have the meaning given in claim 1 , to the use of bimesogenic compounds of formula I in liquid crystal media and particular to flexoelectric liquid crystal devices comprising a liquid crystal medium according to the present invention.

  该发明涉及公式I的双向嵌段化合物，其中R11、R12、MG11、MG12、X11、X12和Sp1的含义如权利要求书中所述，以及公式I的双向嵌段化合物在液晶介质中的使用，特别是包括根据本发明的液晶介质的弯曲电液晶器件。
• COMPOUNDS AND MESOGENIC MEDIA
  申请人：MERCK PATENT GMBH

  公开号：US20160229795A1

  公开（公告）日：2016-08-11

  Disclosed are compounds of formula I the use of compounds of formula I in liquid crystal media and in particular to flexoelectric liquid crystal devices containing the liquid crystal media.

  公开的是公式I的化合物在液晶介质中的使用，特别是包含该液晶介质的柔性电液晶器件。
• Mesogenic media and liquid crystal display
  申请人：MERCK PATENT GMBH

  公开号：US10190049B2

  公开（公告）日：2019-01-29

  The invention relates to mesogenic media comprising one or more bimesogenic compounds, one or more nematogenic compound, one or more chiral compound and a compound of formula I, R11-A11-(Z12-A12)m-AG  I in which, the parameter A11, A12, Z12 and R11 have one of the meanings as given in claim 1, and to the use of these mesogenic media in liquid crystal devices and in particular in flexoelectric liquid crystal devices, as well as to liquid crystal devices comprising a liquid crystal medium according to the present invention.

  本发明涉及由一种或多种双生化合物、一种或多种线虫化合物、一种或多种手性化合物和式 I 化合物组成的介导介质、 R11-A11-(Z12-A12)m-AG I 其中，参数 A11、A12、Z12 和 R11 具有权利要求 1 中给出的含义之一，以及这些介源介质在液晶装置中，特别是在柔电液晶装置中的应用，以及包括根据本发明的液晶介质的液晶装置。
• Compounds and mesogenic media
  申请人：MERCK PATENT GMBH

  公开号：US10343982B2

  公开（公告）日：2019-07-09

  Disclosed are compounds of formula I the use of compounds of formula I in liquid crystal media and in particular to flexoelectric liquid crystal devices containing the liquid crystal media.

  公开了式 I 的化合物 式 I 化合物在液晶介质中的应用，特别是在含有该液晶介质的柔电液晶装置中的应用。