2-氟-4-正己氧基苯甲酸 | 128895-75-0

• 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: 2-氟-4-正己氧基苯甲酸
• 英文名称: 4-n-hexyloxy-2-fluorobenzoic acid
• 英文别名: 2-fluoro-4-n-hexyloxybenzoic acid；2-fluoro-4-hexyloxybenzoic acid；2-fluoro-4-hexoxybenzoic acid
• CAS: 128895-75-0
• 化学式: C₁₃H₁₇FO₃
• mdl: MFCD00142915
• 分子量: 240.275
• InChiKey: BTUUAOLMGQMMTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2918990090
• 安全说明：
  S26

反应信息

• 作为反应物：
  描述：

  2-氟-4-正己氧基苯甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 生成 4-n-pentylphenyl 4-n-hexyloxy-2-fluorobenzoate
  参考文献：
  名称：

  Gray, G. W.; Hogg, C.; Lacey, D., Molecular Crystals and Liquid Crystals (1969-1991), 1981, vol. 67, p. 1 - 24

  摘要：

  DOI：
• 作为产物：
  描述：

  4-溴-3-氟苯酚 在 N-甲基吡咯烷酮 、 氢氧化钾 、 sodium hydroxide 、 乙醇 作用下， 以 水 为溶剂， 反应 87.0h， 生成 2-氟-4-正己氧基苯甲酸
  参考文献：
  名称：

  Gray, G. W.; Hogg, C.; Lacey, D., Molecular Crystals and Liquid Crystals (1969-1991), 1981, vol. 67, p. 1 - 24

  摘要：

  DOI：

文献信息

• Controlling Mirror Symmetry Breaking and Network Formation in Liquid Crystalline Cubic, Isotropic Liquid and Crystalline Phases of Benzil‐Based Polycatenars
  作者：Tino Reppe、Silvio Poppe、Carsten Tschierske

  DOI：10.1002/chem.202002869

  日期：2020.12.4

  capable of forming a wide variety of helically twisted network structures in the liquid, the liquid crystalline (LC) and the crystalline state. Single polar substituents at the apex of tricatenar molecules support the formation of the achiral (racemic) cubic double network phase with Ia d symmetry and relatively small twist along the networks. The combination of an alkyl chain with fluorine substitution

  由非手性分子组成的系统中手性的自发发展对于不对称合成、手性超结构和材料的新途径以及理解生命前手性出现的机制非常重要。本文表明，4,4'-二苯基苯偶酰单元是一种通用的瞬时手性弯曲结构单元，用于设计多链（多链）棒状分子，能够在液体中形成各种螺旋扭曲的网络结构、液晶（LC）和结晶态。三链分子顶端的单极性取代基支持非手性（外消旋）立方双网络相的形成，该双网络相具有Ia d对称性和沿网络的相对较小的扭曲。烷基链与氟取代的组合导致具有I 23 空间群的均匀手性三重网络相，此外还提供镜面对称破缺液体。用 Cl 或 Br 代替 F 进一步增加了扭曲，导致短节距双螺旋Ia d相，这又是非手性的。分析了结构变化对网络结构的影响，无论是导致非手性相还是手性聚集体。
• Ferroelectric and antiferroelectric switching behaviour in new unsymmetrical bent-core compounds derived from 3-hydroxybenzoic acid
  作者：H. N. Shreenivasa Murthy、B. K. Sadashiva

  DOI：10.1039/b419404g

  日期：——

  Herein we report the synthesis and characterization of several achiral bent-core unsymmetrical compounds exhibiting mesomorphic properties. The lower homologues in two series of compounds show a columnar phase with a rectangular lattice whereas the middle homologues exhibit a novel columnar phase with an oblique lattice. Interestingly, three of the higher homologues of the laterally unsubstituted compounds exhibit a smectic phase with ferroelectric switching characteristics and the analogous fluoro-substituted compounds show a smectic phase that is composed of antiferroelectric conglomerates.

  在此，我们报告了几种表现出介形特性的非手性弯曲核不对称化合物的合成和表征。两个系列化合物中的低级同系物显示出具有矩形晶格的柱状相，而中级同系物则显示出具有斜晶格的新型柱状相。有趣的是，横向未取代化合物的三个较高同系物显示出一种具有铁电开关特性的晶相，而类似的氟取代化合物则显示出一种由反铁电聚集体组成的晶相。
• Wide blue phase range observed in simple binary mixture systems containing rodlike racemic biphenyl mesogens with 2-octyloxy tails
  作者：Chiung-Cheng Huang、Chang-Yi Guo、Wei-Cheng Hsieh、Chih-Yi Fang、Jian-Fu Chiou、Ming-Jiun Shyu、Bo-Hao Chen、I-Jui Hsu、Jey-Jau Lee

  DOI：10.1039/c6ra20799e

  日期：——

  of simple and rodlike racemic biphenyl mesogens possessing a 2-octyloxy tail and different substituents at the inner-core position of the phenyl ring were easily prepared. The mesophases of these racemic biphenyl mesogens were confirmed by variable-temperature XRD and the characteristic texture of POM. In general, cubic BPs can be induced by adding an appropriate ratio of chiral additive S811 or ISO(6OBA)2

  容易制备四个具有2-辛氧基尾和在苯环的内核位置具有不同取代基的简单和棒状外消旋联苯介晶。这些外消旋联苯液晶元的中间相通过可变温度XRD和POM的特征结构得到证实。通常，在加热和冷却过程中，将适当比例的手性添加剂S811或ISO（6OBA）2添加到这些外消旋联苯液晶元中，可以诱发立方BP 。有趣的是，BPIII（5–6 K）在高手性条件下很容易控制由单取代联苯液晶元和手性掺杂剂S811组成的混合混合物。另外，当化合物C 6 OBiPhI-OH与35 wt％S811在冷却过程中混合时，BPIII的形成温度接近室温（36°C）。混合体系中存在的20 K以上的稳定BP由手性掺杂剂ISO（6OBA）2组成，没有取代的联苯液晶元C n OBiPhI-H或二氟取代的C n OBiPhI-FF。值得注意的是，通过在联苯化合物C 6 OBiPhI-H中仅添加10 wt％具有高HTP的手性掺杂剂ISO（6OB
• Influence of a fluorine substituent on the mesomorphic properties of unsymmetrical five-ring bent-core compounds
  作者：H. N. Shreenivasa Murthy、B. K. Sadashiva

  DOI：10.1039/b406548b

  日期：——

  The synthesis and mesomorphic properties of unsymmetrical five-ring bent-core compounds containing a fluorine substituent in one of the arms are reported. A comparison of the properties with the symmetrical compounds having two fluorine substituents indicates that the position of this substituent has an influence on the nature of the mesophase observed. Evidence for the occurrence of a transition from the rectangular columnar (B1) phase to an antiferroelectric lamellar (B2) phase, which is rather rare, is provided. The mesophases have been characterized using polarized light microscopy, differential scanning calorimetry, X-ray diffraction and electro-optical studies.

  报告了在一个臂中含有一个氟取代基的非对称五环弯曲核化合物的合成和介观性质。与具有两个氟取代基的对称化合物的性质比较表明，该取代基的位置对观察到的介相性质有影响。研究还提供了从矩形柱状（B1）相向反铁电层状（B2）相过渡的证据，这种过渡相当罕见。利用偏光显微镜、差示扫描量热法、X 射线衍射和电光研究对介相进行了表征。
• Synthesis and Mesomorphic Properties of Two Series of Laterally Fluorinated Symmetric Ester Liquid Crystals
  作者：Qiang Wei、Xiaotao Yuan、Lipei Zhang、Liping Wang、Huai Yang、Yangbin Wang

  DOI：10.1080/15421400802198359

  日期：2008.7.30

  Two series of symmetric ester liquid crystals (nAFBHQ and nADFBHQ) with lateral fluorine atoms have been synthesized. Their chemical structures were measured by FTIR, H-1 NMR, and elemental analysis (EA). Their mesomorphic properties were investigated by differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). It was found that both series showed nematic phase only. And their melting point and clearing point decreased with the number of carbon atoms in alkoxy group. It can also be found that nAFBHQ have approximately the same temperatures of melting point but much higher temperatures of clearing point than their corresponding compound in nADFBHQ series.