4-[difluoro(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-4'-pentylbiphenyl

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[difluoro(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-4'-pentylbiphenyl
• 英文别名: 2-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene；2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene
• 化学式: C₂₄H₁₉F₇O
• 分子量: 456.403
• InChiKey: XKGGKOGNCFXWMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3,5-difluoro-4'-pentylbiphenyl-4-thionocarboxylic acid 3,4,5-trifluorophenyl ester 在 iodine pentafluoride 、 triethylamine tris(hydrogen fluoride) 作用下， 以 乙酸乙酯 为溶剂， 反应 6.0h， 以89%的产率得到4-[difluoro(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-4'-pentylbiphenyl
  参考文献：
  名称：

  オキシジフルオロメチレン骨格を有する化合物の製造方法

  摘要：

  本发明的问题在于提供一种通过简便的工艺，在不使用高毒性原料如二溴二氟甲烷的情况下，几乎不产生难以分离的杂质，并且以高收率制备具有氧二氟甲基骨架化合物的方法。解决方案是通过将硫醚羧酸酯（可以通过需要时与卤代硫醚羰化合物和特定化合物反应而获得）与由式：XF_n（其中，X代表氯、溴或碘，n代表1至5的自然数。）表示的化合物反应，可以高收率地获得具有氧二氟甲基骨架的化合物。此外，必要时，可以通过与硼酸化合物等反应，高收率地引入各种芳香环基等基团。【选定图】无

  公开号：

  JP2015193609A

文献信息

• METHOD FOR PRODUCING COMPOUND HAVING OXYDIFLUOROMETHYLENE SKELETON
  申请人：Daikin Industries, Ltd.

  公开号：EP3121160A1

  公开（公告）日：2017-01-25

  An object of the present invention is to provide a method for producing a compound having an oxydifluoromethylene skeleton at a high yield by a simple process without using highly toxic starting materials, such as dibromodifluoromethane, while generating almost no difficult-to-separate impurities. A reaction between a thionocarboxylic acid ester (which may be obtained by a reaction between a halogenated thiocarbonyl compound and a specific compound as required) and a compound represented by Formula: XFn (wherein X represents chlorine, bromine, or iodine, and n represents a natural number of 1 to 5) gives a compound having an oxydifluoromethylene skeleton at a high yield. Various groups, such as an aromatic ring group, may also be introduced in high yield by reacting this compound with a boronic acid compound and the like as required.

  本发明的目的是提供一种方法，通过简单的工艺，在不使用剧毒起始原料（如二溴二氟甲烷）的情况下，高产率地生产具有氧二氟亚甲基骨架的化合物，同时几乎不产生难以分离的杂质。硫代羧酸酯（可根据需要通过卤代硫羰基化合物与特定化合物的反应获得）与由式：XFn（其中 X 代表氯、溴或碘，n 代表 1 至 5 的自然数）可得到具有氧二氟甲基骨架的高产率化合物。还可以根据需要，通过使该化合物与硼酸化合物等反应，高产率地引入各种基团，如芳香环基团。
• FLUOROBIPHENYL-CONTAINING COMPOSITION
  申请人：DIC Corporation

  公开号：EP2837670B1

  公开（公告）日：2017-09-27
• LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：DIC Corporation

  公开号：EP2883938B1

  公开（公告）日：2017-10-25
• LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：SASADA Yasuyuki

  公开号：US20140077131A1

  公开（公告）日：2014-03-20

  The invention provides a liquid crystal compound represented by formula (1): wherein, in formula (I), for example, R 1 is fluorine, chlorine, or alkyl having 1 to 10 carbons, and in the alkyl, at least one of —CH 2 — may be replaced by —O—, —S—, —CO— or —SiH 2 —, and at least one of —(CH 2 ) 2 — may be replaced by —CH═CH— or —C≡C—. The compound has a low threshold voltage and excellent compatibility with other liquid crystal compounds, and further excellent general physical properties required for the compound. The invention also provides a liquid crystal composition containing at least one of the compounds and having excellent properties, and a liquid crystal display device including the composition, and having a wide usable temperature range, a short response time, a large contrast ratio and a low driving voltage, and therefore can be used for a liquid crystal projector and a liquid crystal television.
• NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME
  申请人：DIC CORPORATION

  公开号：US20150001444A1

  公开（公告）日：2015-01-01

  A composition containing a compound represented by general formula (i) and a compound represented by general formula (ii): in the formulas, each of X i1 to X i6 independently represents a hydrogen atom, a fluorine atom or a chlorine atom, and each of X ii1 to X ii4 independently represents a hydrogen atom, a fluorine atom or a chlorine atom.