4-hexyloxy-2,3,5,6-tetrafluorobenzoic acid | 76070-96-7

• 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-hexyloxy-2,3,5,6-tetrafluorobenzoic acid
• 英文别名: 2,3,5,6-tetrafluoro-4-hexoxybenzoic acid
• CAS: 76070-96-7
• 化学式: C₁₃H₁₄F₄O₃
• 分子量: 294.246
• InChiKey: JXBVBAJFQNOXLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-hexyloxy-2,3,5,6-tetrafluorobenzoic acid 在 吡啶 、 氯化亚砜 作用下， 反应 51.0h， 生成 2,3,5,6-Tetrafluoro-4-hexyloxy-benzoic acid 4'-cyano-biphenyl-4-yl ester
  参考文献：
  名称：

  Barny, P. le; Ravaux, G.; Dubois, J. C., Molecular Crystals and Liquid Crystals (1969-1991), 1985, vol. 127, p. 413 - 430

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3,5,6-四氟苯酚 在 正丁基锂 、 四丁基溴化铵 、 potassium carbonate 作用下， 以 四氢呋喃 、 正己烷 、 丁酮 为溶剂， 生成 4-hexyloxy-2,3,5,6-tetrafluorobenzoic acid
  参考文献：
  名称：

  Aromatic Fluorination Effect on the Mesomorphic Properties of Discotic Liquid Crystal of Alkoxybenzoyloxytriphenylene

  摘要：

  合成并研究了两个同系物C6F4和C10F4，它们具有2,3,5,6-四氟苯基结构。研究表明，这些化合物表现出六角柱状相（Colh），这种介晶行为与相应的非氟化同系物C6H4和C10H4显著不同，后者主要表现为盘状向列相（ND）。

  DOI：

  10.1246/cl.2007.584

文献信息

• Structure-Function Relationships in Liquid-Crystalline Halogen-Bonded Complexes
  作者：Duncan W. Bruce、Pierangelo Metrangolo、Franck Meyer、Tullio Pilati、Carsten Präsang、Giuseppe Resnati、Giancarlo Terraneo、Stephen G. Wainwright、Adrian C. Whitwood

  DOI：10.1002/chem.201000717

  日期：2010.8.16

  halogen‐bonding acceptors, and substituted derivatives of 4‐iodotetrafluorophenyl as halogen‐bonding donors. Despite the fact that the starting materials are not mesomorphic, the dimeric, halogen‐bonded complexes obtained exhibited nematic and SmA phases, depending on the length of the alkyl chains present on the components. The modularity of this approach also led to new chiral mesogens starting from non‐mesomorphic

  新型液晶材料是通过在一系列4-烷氧基噻唑，4-烷基和4-烷氧基取代的吡啶作为卤素键合受体以及4-碘四氟苯基的取代衍生物作为卤素之间的卤素键合作用下自组装制备的绑定捐助者。尽管事实上原料不是介晶的，但取决于组分上存在的烷基链的长度，所获得的二聚体，卤素键合的配合物仍显示出向列相和SmA相。这种方法的模块化也导致了从非亚同构手性化合物开始的新的手性液晶元。
• Liquid crystalline organic semiconductor material and organic semiconductor device using same
  申请人：Sasada Yasuyuki

  公开号：US20080058544A1

  公开（公告）日：2008-03-06

  The present invention provides a novel organic semiconductor material that affords efficient charge transport, under a wider range of conditions, by increasing the temperature stability and expanding the temperature range of the organic semiconductor material. In an organic semiconductor material comprising a liquid crystalline compound having substituents on the periphery of a rigid plate-like central structure, the substituents have a fluorinated phenylene group, and columns in which the molecules of the compound are accumulated in a stack are aligned hexagonally.

  本发明提供了一种新型的有机半导体材料，通过提高温度稳定性和扩大有机半导体材料的温度范围，实现了在更广泛的条件下高效的电荷传输。在包括具有刚性板状中心结构周围取代基的液晶化合物的有机半导体材料中，这些取代基具有氟取代苯基，并且该化合物的分子在柱状结构中呈六边形排列。
• Norvaline Derivative and Method for Preparation Thereof
  申请人：Harada Naoyuki

  公开号：US20080076769A1

  公开（公告）日：2008-03-27

  Norvaline derivative of the formula [I] or pharmaceutically acceptable salt thereof, method for preparing the same, pharmaceutical composition containing the same, and use of said compound for inhibiting transporting activity of glycine transporter type 2 (GlyT2). [wherein X is —CH 2 —, —O—, —S— or single bond; Ar is optionally substituted aryl or lower cycloalkyl; n is 0 to 2; R 1 and R 2 are (i) each is hydrogen or lower alkyl; (ii) R 1 and R 2 are combined to form lower alkylene; or (iii) R 1 is hydrogen or lower alkyl and R 2 is combined with R 4 or R 6 to form lower alkylene; R 3 and R 4 are (i) each is hydrogen or lower alkyl; (ii) R 3 and R 4 are combined to form lower alkylene; or (iii) R 3 is hydrogen or lower alkyl and R 4 is combined with R 2 or R 6 to form lower alkylene; R is or —OR 7 ; R 5 and R 6 are (i) each is optionally substituted lower alkyl, or hydrogen; (ii) R 5 and R 6 are combined to form aliphatic 5- to 6-membered heterocyclic group; or (iii) R 5 is optionally substituted lower alkyl or hydrogen and R 6 is combined with R 2 or R 4 to form lower alkylene; R 7 is lower alkyl.

  Norvaline衍生物的化学式[I]或其药学上可接受的盐，制备方法，含有该化合物的药物组合物，以及用于抑制甘氨酸转运体2型（GlyT2）的转运活性的用途。[其中X为-CH2-，-O-，-S-或单键；Ar为可选取代芳基或较低的环烷基；n为0至2；R1和R2为（i）氢或较低的烷基；（ii）R1和R2结合形成较低的烷基；或（iii）R1为氢或较低的烷基，R2与R4或R6结合形成较低的烷基；R3和R4为（i）氢或较低的烷基；（ii）R3和R4结合形成较低的烷基；或（iii）R3为氢或较低的烷基，R4与R2或R6结合形成较低的烷基；R为-OH或-OR7；R5和R6为（i）可选取代的较低烷基或氢；（ii）R5和R6结合形成脂肪族5-至6-成员杂环基；或（iii）R5为可选取代的较低烷基或氢，R6与R2或R4结合形成较低的烷基；R7为较低烷基。
• SUGAVARA, SYUNGO
  作者：SUGAVARA, SYUNGO

  DOI：——

  日期：——
• NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1846366B1

  公开（公告）日：2011-08-03