(4-Butoxy-2-fluorophenyl)boronic acid | 1107603-52-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (4-Butoxy-2-fluorophenyl)boronic acid
• CAS: 1107603-52-0
• 化学式: C₁₀H₁₄BFO₃
• 分子量: 212.029
• InChiKey: VSRXQUICHOERLV-UHFFFAOYSA-N

物化性质

• 沸点：
  330.9±52.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.68
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2931900090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  6-氰基-2-萘基三氟甲烷磺酸酯 、 (4-Butoxy-2-fluorophenyl)boronic acid 在 四(三苯基膦)钯 、 sodium carbonate 、 lithium chloride 作用下， 以 乙二醇二甲醚 为溶剂， 反应 16.0h， 以78%的产率得到2-(4-butoxy-2-fluorophenyl)-6-cyanonaphthalene
  参考文献：
  名称：

  Synthesis, mesomorphic behaviour and optical anisotropy of some novel materials for nematic mixtures of high birefringenceElectronic supplementary information (ESI) available: experimental procedures for all compounds not already given in this paper. See http://www.rsc.org/suppdata/jm/b4/b400630e/

  摘要：

  结构单元包括核心单元（如苯基、萘基和噻吩基）、连接基团（如乙炔基）、末端取代基（如氰基、异硫氰酸基和氟基）以及侧向氟取代基，已被引入到旨在赋予液晶混合物高双折射率的新材料中。这些材料均通过涉及钯催化的芳基硼酸交叉偶联反应的汇聚合成方法制备而成。材料的介晶行为作为纯材料和混合物进行了研究；一些材料被发现具有极高的液晶相稳定性，而另一些则为非介晶性。材料在液晶宿主混合物中被评估其光学各向异性，所有材料均显示出有希望的高值。

  DOI：

  10.1039/b400630e

文献信息

• INTERMEDIATES AND PROCEDURES FOR THE SYNTHESIS OF FUNCTIONAL MATERIALS
  申请人：Merck Patent GmbH

  公开号：US20190127586A1

  公开（公告）日：2019-05-02

  The present invention relates to heteroaromatic compounds which have two different reactive groups, their use in the synthesis of asymmetrically substituted compounds, and synthesis processes in which the compounds according to the invention are reacted sequentially with two different compounds, whereby an asymmetrically substituted compound is formed.

  本发明涉及具有两种不同反应基团的杂环芳香化合物，它们在不对称取代化合物的合成中的应用以及合成过程中根据本发明的化合物与两种不同的化合物按顺序反应，从而形成不对称取代化合物。
• Synthesis, mesomorphic behaviour and optical anisotropy of some novel materials for nematic mixtures of high birefringenceElectronic supplementary information (ESI) available: experimental procedures for all compounds not already given in this paper. See http://www.rsc.org/suppdata/jm/b4/b400630e/
  作者：Michael Hird、Kenneth J. Toyne、John W. Goodby、George W. Gray、Victoria Minter、Rachel P. Tuffin、Damien G. McDonnell

  DOI：10.1039/b400630e

  日期：——

  Structural moieties including core units (such as phenyl, naphthyl and thiophenyl), linking groups (such as ethynyl), terminal substituents (such as cyano, isothiocyanato and fluoro), and lateral fluoro substituents have been incorporated into novel materials designed to confer a high birefringence on nematic mixtures. The materials have all been prepared through convergent syntheses involving palladium-catalysed cross-coupling reactions of arylboronic acids. The materials were examined for their mesomorphic behaviour as neat materials and as mixtures; some materials were found to have extremely high nematic phase stability, and others were non-mesogenic. The materials were evaluated in nematic host mixtures for their optical anisotropy, and they were all found to show promisingly high values.

  结构单元包括核心单元（如苯基、萘基和噻吩基）、连接基团（如乙炔基）、末端取代基（如氰基、异硫氰酸基和氟基）以及侧向氟取代基，已被引入到旨在赋予液晶混合物高双折射率的新材料中。这些材料均通过涉及钯催化的芳基硼酸交叉偶联反应的汇聚合成方法制备而成。材料的介晶行为作为纯材料和混合物进行了研究；一些材料被发现具有极高的液晶相稳定性，而另一些则为非介晶性。材料在液晶宿主混合物中被评估其光学各向异性，所有材料均显示出有希望的高值。