4-(3,5-二氟苯基)-3-氟苯甲酸 | 1262006-03-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(3,5-二氟苯基)-3-氟苯甲酸
• 英文名称: 2,3',5'-trifluoro-1,1'-biphenyl-4-carboxylic acid
• 英文别名: 4-(3,5-Difluorophenyl)-3-fluorobenzoic acid
• CAS: 1262006-03-0
• 化学式: C₁₃H₇F₃O₂
• mdl: MFCD16509404
• 分子量: 252.193
• InChiKey: YVTQKWMENNEUHO-UHFFFAOYSA-N

物化性质

• 沸点：
  357.2±42.0 °C(Predicted)
• 密度：
  1.402±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  4-(3,5-二氟苯基)-3-氟苯甲酸 在 4-二甲氨基吡啶 、 正丁基锂 、 三氟化硼乙醚 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 37.0h， 生成 1-(4'-(bromodifluoromethyl)-2,3',5'-trifluoro-[1,1'-biphenyl]-4-yl)-4-pentyl-2,6,7-trioxabicyclo[2.2.2]octane
  参考文献：
  名称：

  ORTHO ESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE

  摘要：

  公开号：

  EP2690103B1
• 作为产物：
  描述：

  二氧化碳 、 4-bromo-2,3',5'-trifluoro-1,1'-biphenyl 在 lithium chloro-isopropyl-magnesium chloride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以10.3 g的产率得到4-(3,5-二氟苯基)-3-氟苯甲酸
  参考文献：
  名称：

  ORTHO ESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE

  摘要：

  公开号：

  EP2690103B1

文献信息

• [EN] SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME<br/>[FR] AMIDES TRICYCLIQUES SUBSTITUÉS, ANALOGUES DE CEUX-CI ET PROCÉDÉS LES METTANT EN OEUVRE
  申请人：ARBUTUS BIOPHARMA CORP

  公开号：WO2021229302A1

  公开（公告）日：2021-11-18

  The present disclosure includes substituted tricyclic amides, or analogues thereof of formula (I) (I), wherein X, Y, ring A, R1, R5, R6 and R7 are as defined herein, and compositions comprising compounds of formula (I) that can be used to treat or prevent hepatitis B virus (HBV) and/or hepatitis D virus (HDV) infections in a patient.

  本公开涵盖了替代三环酰胺，或其类似物的化合物，其化学式为(I)，其中X、Y、环A、R1、R5、R6和R7如本文所定义，并包括化合物(I)的组合物，可用于治疗或预防患者体内的乙型肝炎病毒（HBV）和/或丙型肝炎病毒（HDV）感染。
• Optically isotropic liquid crystal medium and optical device
  申请人：JNC Corporation

  公开号：US08609208B2

  公开（公告）日：2013-12-17

  A liquid crystal medium having an optically isotropic liquid crystal phase is described, which has stability to heat, light and so on, a broad temperature range of liquid crystal phase, a large optical anisotropy and a large dielectric anisotropy. A liquid crystal composition is described, which includes an achiral component T and a chiral dopant and exhibits an optically isotropic liquid crystal phase. The achiral component T contains, as its first component, at least one compound selected from compounds represented by formula (1), wherein R1 is C1-10 alkyl, the rings A1 to A6 are 1,4-phenylene, Z1 to Z7 are single bonds, Y1 and Y2 are fluorine; X1 is halogen, and i, j, k, m, n, p and q are independently 0 or 1.

  描述了一种具有光学各向同性液晶相的液晶介质，具有耐热、耐光等稳定性，液晶相具有宽广的温度范围，大的光学各向异性和大的介电各向异性。描述了一种液晶组分，包括一个非手性组分T和一个手性掺杂剂，并展现了光学各向同性液晶相。非手性组分T包含至少一种由式（1）所表示的化合物中的第一组分，其中R1是C1-10烷基，环A1到A6是1,4-苯撑基，Z1到Z7是单键，Y1和Y2是氟；X1是卤素，而i，j，k，m，n，p和q是独立的0或1。
• OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE
  申请人：JNC CORPORATION

  公开号：US20130114009A1

  公开（公告）日：2013-05-09

  A liquid crystal medium having an optically isotropic liquid crystal phase is described, which has stability to heat, light and so on, a broad temperature range of liquid crystal phase, a large optical anisotropy and a large dielectric anisotropy. A liquid crystal composition is described, which includes an achiral component T and a chiral dopant and exhibits an optically isotropic liquid crystal phase. The achiral component T contains, as its first component, at least one compound selected from compounds represented by formula (1), wherein R 1 is C 1-10 alkyl, the rings A 1 to A 6 are 1,4-phenylene, Z 1 to Z 7 are single bonds, Y 1 and Y 2 are fluorine; X 1 is halogen, and i, j, k, m, n, p and q are independently 0 or 1.

  描述了一种具有光学各向同性液晶相的液晶介质，具有对热、光等的稳定性，液晶相的广泛温度范围，大的光学各向异性和大的介电各向异性。描述了一种液晶组分，其中包括一个无手性组分T和一个手性掺杂剂，并展现出光学各向同性液晶相。无手性组分T包含至少一种由式（1）表示的化合物作为其第一组分，其中R1是C1-10烷基，环A1到A6是1,4-苯撑基，Z1到Z7是单键，Y1和Y2是氟；X1是卤素，i、j、k、m、n、p和q独立地为0或1。
• ORTHOESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：Masukawa Tokifumi

  公开号：US20140021407A1

  公开（公告）日：2014-01-23

  The invention is to provide a liquid crystal compound having a large dielectric anisotropy, a high voltage holding ratio and stability to heat, light and so forth, maintaining a nematic phase in a wide temperature range, having a suitable optical anisotropy and an excellent compatibility with other liquid crystal compounds, particularly, to provide a liquid crystal compound having a large dielectric anisotropy. The invention provides compound (1): In the formula, for example, R 1 is alkyl having 1 to 20 carbons; ring A 1 , ring A 2 , ring A 3 , ring A 4 , ring A 5 and ring A 6 are independently 1,4-cyclohexylene or 1,4-phenylene; Z 1 , Z 2 , Z 3 , Z 4 , Z 5 , Z 6 and Z 7 are independently a single bond, —(CH 2 ) 2 —, —COO—, —OCO—, —CF 2 O—, —OCF 2 — or —CH═CH—; X 1 is fluorine, —CF 3 or —OCF 3 ; and Y 1 and Y 2 are independently hydrogen or fluorine.

  本发明旨在提供一种具有大的介电各向异性、高电压保持比和对热、光等的稳定性，在广泛的温度范围内保持向列相，具有适当的光学各向异性和与其他液晶化合物良好的相容性，特别是提供一种具有大的介电各向异性的液晶化合物。本发明提供化合物(1)：其中，在公式中，例如，R1是具有1至20个碳的烷基；环A1、环A2、环A3、环A4、环A5和环A6独立地是1,4-环己亚甲基或1,4-苯亚甲基；Z1、Z2、Z3、Z4、Z5、Z6和Z7独立地是单键，-(CH2)2-，-COO-，-OCO-，-CF2O-，-OCF2-或-CH═CH-；X1是氟、-CF3或-OCF3；而Y1和Y2独立地是氢或氟。
• ORTHO ESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT
  申请人：JNC Corporation

  公开号：EP2690103A1

  公开（公告）日：2014-01-29

  The invention is to provide a liquid crystal compound having a large dielectric anisotropy, a high voltage holding ratio and stability to heat, light and so forth, maintaining a nematic phase in a wide temperature range, having a suitable optical anisotropy and an excellent compatibility with other liquid crystal compounds, particularly, to provide a liquid crystal compound having a large dielectric anisotropy. The invention provides compound (1): In the formula, for example, R1 is alkyl and having 1 to 20 carbons; ring A1, ring A2, ring A3, ring A4, ring A5 and ring A6 are independently 1,4-cyclohexylene or 1,4-phenylene; Z1, Z2, Z3, Z4, Z5, Z6 and Z7 are independently a single bond, - (CH2) 2-, -COO-, -OCO-, CF2O-, -OCF2- or -CH=CH-; X1 is fluorine, -CF3 or -OCF3; and Y1 and Y2 are independently hydrogen or fluorine.

  本发明旨在提供一种液晶化合物，它具有较大的介电各向异性、较高的电压保持比和对热、光等的稳定性，在较宽的温度范围内保持向列相，具有合适的光学各向异性，与其他液晶化合物具有良好的相容性，特别是提供一种具有较大介电各向异性的液晶化合物。本发明提供了化合物（1）： 例如，在式中，R1 是烷基，具有 1 至 20 个碳原子；环 A1、环 A2、环 A3、环 A4、环 A5 和环 A6 独立地是 1，4-环己烯或 1，4-亚苯基；Z1、Z2、Z3、Z4、Z5、Z6 和 Z7 独立地为单键、- (CH2)2-、-COO-、-OCO-、CF2O-、-OCF2- 或 -CH=CH-；X1 为氟、-CF3 或 -OCF3；以及 Y1 和 Y2 独立地为氢或氟。