5-[[2,6-difluoro-4-(4-ethylcyclohexyl)phenyl]difluoromethoxy]-1,2,3-trifluorobenzene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-[[2,6-difluoro-4-(4-ethylcyclohexyl)phenyl]difluoromethoxy]-1,2,3-trifluorobenzene
• 英文别名: 2-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene；2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-difluorobenzene
• 化学式: C₂₁H₁₉F₇O
• 分子量: 420.37
• InChiKey: NTYKXFFXOVMJNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-[[2,6-difluoro-4-(4-ethylcyclohexyl)phenyl]difluoromethoxy]-1,2,3-trifluorobenzene 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以75.3 g的产率得到5-[[2,6-difluoro-4-(trans-4-ethylcyclohexyl)phenyl]difluoromethoxy]-1,2,3-trifluorobenzene
  参考文献：
  名称：

  一种含有二氟甲基醚桥键的液晶单体化合物的制备方法

  摘要：

  本发明涉及液晶单体化合物合成技术领域，具体公开含有二氟甲基醚桥键的液晶单体化合物的制备方法。式Ⅰ所示的含多氟结构的化合物为原料，以式Ⅱ所示的咪唑类碱性离子液体为催化剂，有效提高了多氟结构原料的转化率，进而提高了目标产品的纯度和收率，制备得到的含有二氟甲基醚桥键的液晶单体化合物的HPLC含量大于99.9％，产品总收率大于85％，同时，还缩短了制备含有二氟甲基醚桥键的液晶单体化合物的工艺流程，且避免了使用成本昂贵的丁基锂试剂，进而避免了超低温反应，对设备要求低，降低了工艺难度，且对环境友好，是一种绿色环保且适合工业化生产的制备含有二氟甲基醚桥键的液晶单体化合物的新工艺。

  公开号：

  CN112125788B
• 作为产物：
  描述：

  4-乙基环己酮 在 ruthenium-carbon composite 、 氢气 、 1-(N,N-diethylaminoethyl)-3-ethylimidazole tetrafluoroborate 、 对甲苯磺酸 、 magnesium 作用下， 以 四氢呋喃 、 甲醇 、 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 10.0~140.0 ℃ 、500.01 kPa 条件下， 反应 18.5h， 生成 5-[[2,6-difluoro-4-(4-ethylcyclohexyl)phenyl]difluoromethoxy]-1,2,3-trifluorobenzene
  参考文献：
  名称：

  一种含有二氟甲基醚桥键的液晶单体化合物的制备方法

  摘要：

  本发明涉及液晶单体化合物合成技术领域，具体公开含有二氟甲基醚桥键的液晶单体化合物的制备方法。式Ⅰ所示的含多氟结构的化合物为原料，以式Ⅱ所示的咪唑类碱性离子液体为催化剂，有效提高了多氟结构原料的转化率，进而提高了目标产品的纯度和收率，制备得到的含有二氟甲基醚桥键的液晶单体化合物的HPLC含量大于99.9％，产品总收率大于85％，同时，还缩短了制备含有二氟甲基醚桥键的液晶单体化合物的工艺流程，且避免了使用成本昂贵的丁基锂试剂，进而避免了超低温反应，对设备要求低，降低了工艺难度，且对环境友好，是一种绿色环保且适合工业化生产的制备含有二氟甲基醚桥键的液晶单体化合物的新工艺。

  公开号：

  CN112125788B

文献信息

• DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION
  申请人：CHISSO CORPORATION

  公开号：EP0786445B1

  公开（公告）日：2002-07-17
• LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME
  申请人：Kawamura Jouji

  公开号：US20150159089A1

  公开（公告）日：2015-06-11

  It is an object of the present invention to provide a liquid crystal composition having a positive Δ∈, the liquid crystal composition also having a liquid crystal phase in a wide temperature range, a good resistance to resolution at low temperature, an excellent adaptability to an ODF process, a high specific resistance and voltage holding ratio, and stability to heat and light. In order to achieve this object, a liquid crystal composition containing compounds represented by Formulae (i) and (ii) is provided. (where R i1 represents an alkyl group having 1 to 5 carbon atoms or an alkenyl group having 2 to 5 carbon atoms).
• LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME
  申请人：DIC Corporation

  公开号：US20150225648A1

  公开（公告）日：2015-08-13

  There is provided a liquid crystal composition containing a compound represented by Formula (i) and a compound represented by General Formula (ii) (where R ii1 and R ii2 each independently represent an alkyl group having 1 to 5 carbon atoms, an alkoxyl group having 1 to 5 carbon atoms, or an alkenyl group having 4 or 5 carbon atoms; and X ii1 and X ii2 each independently represent a hydrogen atom or a fluorine atom). There is also provided a liquid crystal display device in which such a liquid crystal composition is used.
• LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT CONTAINING THE SAME
  申请人：DIC Corporation

  公开号：US20160060525A1

  公开（公告）日：2016-03-03

  It is an object of the present invention to provide a liquid crystal composition having positive Δ∈, having a liquid crystal phase in a wide temperature range, having high solubility at low temperatures, having high ODF process compatibility, having a high specific resistance and voltage holding ratio, and being insensitive to heat and light. In order to achieve this object, there is provided a liquid crystal composition containing at least one compound represented by the following general formula (i) and at least one compound represented by the following general formula (ii). (wherein R i1 denotes an alkyl group having 2 to 5 carbon atoms) (wherein R ii1 and R ii2 independently denote an alkyl group having 1 to 5 carbon atoms or an alkenyl group having 2 to 5 carbon atoms, and X ii1 and X ii2 independently denote a hydrogen atom or a fluorine atom)
• LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT MANUFACTURED USING SAME
  申请人：DIC CORPORATION

  公开号：US20160068753A1

  公开（公告）日：2016-03-10

  It is an object of the present invention to provide a liquid crystal composition having a positive Δ∈ as well as a liquid crystal phase in a wide temperature range, good solubility at low temperature, excellent adaptability to an ODF process, high specific resistance, a high voltage holding ratio, and stability to heat and light. In order to achieve this object, a liquid crystal composition containing a compound represented by Formula (i) and a compound represented by Formula (ii) is provided.