4-[difluoro(3,4,5-trifluorophenoxy)methyl]-4"-(5-pentylpyrimidine-2-yl)-2',2",3,5-tetrafluoro-1,1',4',1"-terphenyl | 1224688-25-8

• 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: 4-[difluoro(3,4,5-trifluorophenoxy)methyl]-4"-(5-pentylpyrimidine-2-yl)-2',2",3,5-tetrafluoro-1,1',4',1"-terphenyl
• 英文别名: 2-[4-[4-[4-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine
• CAS: 1224688-25-8
• 化学式: C₃₄H₂₃F₉N₂O
• 分子量: 646.555
• InChiKey: CMYFVCBYTIKFHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  46
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2-氯-5-正戊嘧啶 、 2-[4-[4-[4-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 在 四(三苯基膦)钯 potassium phosphate 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 5.0h， 以78%的产率得到4-[difluoro(3,4,5-trifluorophenoxy)methyl]-4"-(5-pentylpyrimidine-2-yl)-2',2",3,5-tetrafluoro-1,1',4',1"-terphenyl
  参考文献：
  名称：

  PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE

  摘要：

  公开号：

  EP2351741B1

文献信息

• FIVE-RING LIQUID CRYSTAL COMPOUND HAVING A NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：Tanaka Hiroyuki

  公开号：US20110193022A1

  公开（公告）日：2011-08-11

  Provided is a liquid crystal compound having general physical properties necessary for a compound, stability to heat, light or the like, a wide liquid crystal phase temperature range, a high clearing point, an excellent compatibility with other liquid crystal compounds, a large refractive index anisotropy and a large dielectric anisotropy. Provided are a liquid crystal composition including the liquid crystal compound, and a liquid crystal display device containing the liquid crystal composition. The compound is represented by formula (1): wherein, for example, R 1 is alkyl having 1 to 20 carbons; at least one of the rings A 1 to A 6 is pyrimidine-2,5-diyl or pyridine-2,5-diyl and the others are 1,4-cyclohexylene or 1,4-phenylene; Z 1 to Z 6 are a single bond; L 1 to L 4 is hydrogen or halogen; X 1 is hydrogen, halogen, —C≡N or alkyl having 1 to 10 carbons; and l, m, n, o, p and q are 0 or 1 and l+m+n+o+p+q=3.

  提供了一种液晶化合物，具有化合物所需的一般物理特性，对热、光等具有稳定性，具有广泛的液晶相温度范围、高清晰点、与其他液晶化合物的优异兼容性、大的折射率各向异性和大的介电各向异性。提供了包括该液晶化合物的液晶组合物和包含该液晶组合物的液晶显示装置。该化合物由公式（1）表示：其中，例如，R1是具有1到20个碳的烷基；A1到A6中至少有一个是嘧啶-2,5-二基或吡啶-2,5-二基，其余为1,4-环己基或1,4-苯基；Z1到Z6是单键；L1到L4是氢或卤素；X1是氢、卤素、—C≡N或具有1到10个碳的烷基；l、m、n、o、p和q为0或1，且l+m+n+o+p+q=3。
• PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT
  申请人：Chisso Corporation

  公开号：EP2351741A1

  公开（公告）日：2011-08-03

  The invention provides a liquid crystal compound having general physical properties necessary for a compound, stability to heat, light or the like, a wide temperature range of a liquid crystal phase, a high clearing point, an excellent compatibility with other liquid crystal compounds, a large refractive index anisotropy and a large dielectric anisotropy. The invention provides a liquid crystal composition that includes the liquid crystal compound and a liquid crystal display device that contains the liquid crystal composition. The compound provided is represented by formula (1): wherein, for example, R1 is alkyl having 1 to 20 carbons; at least one of the ring A1 to the ring A6 is pyrimidine-2,5-diyl or pyridine-2,5-diyl and the others are 1,4-cyclohexylene or 1,4-phenylene; Z1 to Z6 are a single bond; L1 to L4 is hydrogen or halogen; X1 is hydrogen, halogen, -C≡N or alkyl having 1 to 10 carbons; and 1, m, n, o, p and q are 0 or 1 and 1+m+n+o+p+q is 3.

  本发明提供了一种液晶化合物，它具有化合物所需的一般物理性质、对热、光或类似物的稳定性、液晶相的温度范围宽、清澈点高、与其他液晶化合物的兼容性好、折射率各向异性大以及介电各向异性大。本发明提供了一种包含该液晶化合物的液晶组合物和一种包含该液晶组合物的液晶显示设备。 所提供的化合物由式（1）表示： 其中，例如，R1 是具有 1 至 20 个碳原子的烷基；环 A1 至环 A6 中至少有一个是嘧啶-2,5-二基或吡啶-2,5-二基，其它是 1,4-环己烯或 1,4-亚苯基；Z1至Z6为单键；L1至L4为氢或卤素；X1为氢、卤素、-C≡N或具有1至10个碳原子的烷基；1、m、n、o、p和q为0或1，1+m+n+o+p+q为3。
• US8475888B2
  申请人：——

  公开号：US8475888B2

  公开（公告）日：2013-07-02
• PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：JNC Corporation

  公开号：EP2351741B1

  公开（公告）日：2016-11-30