2-[Bromo(difluoro)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene | 1052241-53-8

• 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: 2-[Bromo(difluoro)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
• CAS: 1052241-53-8
• 化学式: C₂₂H₁₆BrF₅
• 分子量: 455.265
• InChiKey: CEYURYFCZDMYPR-UHFFFAOYSA-N

物化性质

• 沸点：
  465.6±45.0 °C(Predicted)
• 密度：
  1.408±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  三氟甲烷磺酸三氟甲酯 、 2-[Bromo(difluoro)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene 在 silver fluoride 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以27.2%的产率得到2-[Difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
  参考文献：
  名称：

  JP5850023

  摘要：

  公开号：
• 作为产物：
  描述：

  3,5-二氟苯硼酸 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 2-[Bromo(difluoro)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
  参考文献：
  名称：

  Novel Liquid Crystalline Four Ring Chain Difluoromethyleneoxy Compounds for Quicker Response LC Mixtures

  摘要：

  A series of chemically stable novel liquid crystalline four ring chain compounds (1a-1c) having a difluoromethyleneoxy (CF(2)O) linkage moiety have been designed and prepared, and their properties have been thoroughly investigated. The novel compounds intrinsically possess much higher positive Delta epsilon (>32) and Delta n (>0.190), relatively low viscosity, wider nematic phase temperature ranges and significantly higher clearing temperatures in comparison to the analogous three ring chain CF(2)O compound (2) that is currently applied in almost all the latest TN-TFT monitors, notebook PCs and IPS-TVs.

  DOI：

  10.1080/15421400903065200

文献信息

• FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：Tanaka Hiroyuki

  公开号：US20100127211A1

  公开（公告）日：2010-05-27

  The invention provides a five-ring liquid crystal compound having a CF 2 O bonding group as a new compound having a general physical properties necessary for compounds, stability to heat, light and so forth, a wide temperature range of liquid crystal phases, a high clearing point, a good compatibility with other compounds, a large dielectric anisotropy and refractive index anisotropy, and an especially high clearing point and an especially large refractive index anisotropy, and provides a liquid crystal composition and a liquid crystal display device.

  本发明提供了一种具有CF2O键合基团的五环液晶化合物，作为一种具有化合物所需的一般物理性质、对热、光等的稳定性、广泛的液晶相温度范围、高清晰点、与其他化合物良好的相容性、大电介质各向异性和折射率各向异性，特别是高清晰点和特别大的折射率各向异性的新化合物，并提供了一种液晶组合物和液晶显示装置。
• Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device
  申请人：JNC Corporation

  公开号：EP2735599A1

  公开（公告）日：2014-05-28

  To provide a liquid crystal compound having high stability to heat, light and so forth, a high clearing point, a low minimum temperature of a liquid crystal phase, small viscosity, suitable optical anisotropy, large dielectric anisotropy, a suitable elastic constant and excellent compatibility with other liquid crystal compounds, a liquid crystal composition containing the compound, and a liquid crystal display device including the composition. The compound is represented by formula (1-1): wherein, for example, R1 is hydrogen, halogen or alkyl having 1 to 20 carbons; ring A1, ring A2, ring A3, ring A4 and ring A5 are independently 1, 4-cyclohexylene or 1, 4-phenylene; Z1, Z2, Z3 and Z4 are independently a single bond, -(CH2)2-, -CH=CH- or -CF=CF-: and a, b, c and d are independently 0 or 1, and a sum of a, b, c and d is one or more.

  提供一种对热、光等具有高稳定性、高清澈点、低液晶相最低温度、小粘度、适当的光学各向异性、大介电各向异性、适当的弹性常数以及与其他液晶化合物具有良好兼容性的液晶化合物，一种含有该化合物的液晶组合物，以及一种包括该组合物的液晶显示设备。该化合物用式（1-1）表示： 其中，例如，R1 是氢、卤素或具有 1 至 20 个碳原子的烷基；环 A1、环 A2、环 A3、环 A4 和环 A5 独立地是 1，4-环己烯或 1，4-亚苯基；Z1、Z2、Z3 和 Z4 独立地是单键、-(CH2)2-、-CH=CH- 或-CF=CF-：以及 a、b、c 和 d 独立地是 0 或 1，且 a、b、c 和 d 之和是一个或多个。
• PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY
  申请人：JNC Corporation

  公开号：EP2116522B1

  公开（公告）日：2013-09-18
• LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：JNC PETROCHEMICAL CORPORATION

  公开号：US20140145113A1

  公开（公告）日：2014-05-29

  A liquid crystal compound having high stability to heat, light and so forth, a high clearing point, a low minimum temperature of a liquid crystal phase, small viscosity, suitable optical anisotropy, large dielectric anisotropy, a suitable elastic constant and excellent compatibility with other liquid crystal compounds, a liquid crystal composition containing the compound, and a liquid crystal display device including the composition. The compound is represented by formula (1-1): wherein, for example, R 1 is hydrogen, halogen or alkyl having 1 to 20 carbons; ring A 1 , ring A 2 , ring A 3 , ring A 4 and ring A 5 are independently 1,4-cyclohexylene or 1,4-phenylene; Z 1 , Z 2 , Z 3 and Z 4 are independently a single bond, —(CH 2 ) 2 —, —CH═CH— or —CF═CF—: and a, b, c and d are independently 0 or 1, and a sum of a, b, c and d is one or more.
• US20150259599A1
  申请人：——

  公开号：US20150259599A1

  公开（公告）日：2015-09-17