1-溴-3-己氧基苯 | 161291-04-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-溴-3-己氧基苯
• 中文别名: 1-溴-3-(己氧基)苯
• 英文名称: 1-bromo-3-(hexyloxy)benzene
• 英文别名: 1-bromo-3-hexoxybenzene
• CAS: 161291-04-9
• 化学式: C₁₂H₁₇BrO
• mdl: MFCD09037830
• 分子量: 257.17
• InChiKey: JVYXVTVHYHKYSY-UHFFFAOYSA-N

物化性质

• 沸点：
  114 °C(Press: 0.08 Torr)
• 密度：
  1.212±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  1-溴-3-己氧基苯 在 bis-triphenylphosphine-palladium(II) chloride 、 正丁基锂 、 溶剂黄146 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 为溶剂， 反应 62.0h， 生成 6,7-Difluoro-2,3-bis(3-(hexyloxy)phenyl)-5,8-di(thiophen-2-yl)quinoxaline
  参考文献：
  名称：

  Quinoxaline-Based Polymer Dots with Ultrabright Red to Near-Infrared Fluorescence for In Vivo Biological Imaging

  摘要：

  This article describes the design and synthesis of quinoxaline-based semiconducting polymer dots (Pdots) that exhibit near-infrared fluorescence, ultrahigh brightness, large Stokes shifts, and excellent cellular targeting capability. We also introduced fluorine atoms and long alkyl chains into polymer backbones and systematically investigated their effect on the fluorescence quantum yields of Pdots. These new series of quinoxaline-based Pdots have a fluorescence quantum yield as high as 47% with a Stokes shift larger than 150 nm. Single-particle analysis reveals that the average per-particle brightness of the Pdots is at least 6 times higher than that of the commercially available quantum dots. We further demonstrated the use of this new class of quinoxaline-based Pdots for effective and specific cellular and subcellular labeling without any noticeable nonspecific binding. Moreover, the cytotoxicity of Pdots were evaluated on HeLa cells and zebrafish embryos to demonstrate their great biocompatibility. By taking advantage of their extreme brightness and minimal cytotoxicity, we performed, for the first time, in vivo microangiography imaging on living zebrafish embryos using Pdots. These quinoxaline-based NIR-fluorescent Pdots are anticipated to find broad use in a variety of in vitro and in vivo biological research.

  DOI：

  10.1021/jacs.5b06710
• 作为产物：
  描述：

  6-溴正己醇 在 1,2-bis(dimethylsilyl)ethane 、 三(五氟苯基)硼烷 、 碳酸氢钠 、 potassium carbonate 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 1-溴-3-己氧基苯
  参考文献：
  名称：

  由B（C醚取代的醇与羰基化合物的化学选择性脱氧6 ˚F 5）3 -催化还原（HME 2 SICH 2）2 †

  摘要：

  使用（HMe 2 SiCH 2）2作为还原剂，开发了B（C 6 F 5）3催化的醚取代的醇和羰基化合物的脱氧反应。这种独特的试剂显示出优于传统的以硅为中心的氢硅烷的独特优势，可高收率地提供相应的烷烃，并对醚，芳基卤化物和烯烃具有良好的耐受性。对照实验表明（HMe 2 SiCH 2）2可能以分子内Si / O活化方式促进该方法。

  DOI：

  10.1039/c8cc01163j

文献信息

• B(C₆F₅)₃-Catalyzed Chemoselective Defunctionalization of Ether-Containing Primary Alkyl Tosylates with Hydrosilanes
  作者：Indranil Chatterjee、Digvijay Porwal、Martin Oestreich

  DOI：10.1002/anie.201611813

  日期：2017.3.13

  cleavage promoted by B(C6F5)3 /Et3SiH proceeds preferentially with primary tosylates in the presence of primary and secondary silyl ethers and aryl ethers. This reactivity difference enables the chemoselective defunctionalization of several 1,n‐diols, and the efficiency of the new procedure is highlighted by the selective deoxygenation of the hydroxymethyl group of an orthogonally protected carbohydrate. Tosylates

  在伯和仲甲硅烷基醚和芳基醚的存在下，由B（C 6 F 5）3  / Et 3 SiH促进的催化C（sp 3）-O键裂解优先与伯甲苯磺酸盐一起进行。这种反应性的差异使几种1，n-二醇的化学选择性脱官能化，并且正交保护的碳水化合物的羟甲基选择性脱氧突出了新方法的效率。具有邻苯基的甲苯磺酸酯在邻氨基苯甲酸辅助下被裂解。
• Contorted Heteroannulated Tetraareno[ <i>a</i> , <i>d</i> , <i>j</i> , <i>m</i> ]coronenes
  作者：Xuan Yang、Frank Rominger、Michael Mastalerz

  DOI：10.1002/chem.202102112

  日期：2021.10.13

  Here, a series of pyridine, anisole and thiophene annulated tetraareno[a,d,j,m]coronenes has been synthesized by a facile two-step route that is a combination of Suzuki-Miyaura cross-coupling and a following cyclization step, starting from three different diarenoperylene dibromides. The contorted molecular π-planes of the obtained cata-condensed tetraarenocoronenes were analyzed by single-crystal X-ray

  稠合多环芳族化合物是用于有机电子应用的有趣材料。为了微调光物理或电化学特性，可以连接各种取代基或将杂原子（如 N 或 S）并入稠合的芳族主链中。Coronenes 和heterocoronenes 在这方面是有前途的化合物。到目前为止，改变冠烯核心处连接的稠合杂芳烃的可能性非常有限，同时实现吸电子环和供电子环非常困难。这里，一系列吡啶、苯甲醚和噻吩环化四芳烃[ a , d , j , m] 苊烯已通过简单的两步路线合成，该路线是 Suzuki-Miyaura 交叉偶联和随后的环化步骤的组合，从三种不同的二烯苝二溴化物开始。通过单晶X射线晶体学分析了所获得的催化缩合四芳烃的扭曲分子π平面，并通过紫外/可见光谱和循环伏安法系统地研究了光物理和电化学性质。
• 一种基于取代茚并噻吩稠环单元的A-D-A型 共轭分子及其制备方法
  申请人：西安近代化学研究所

  公开号：CN106543201B

  公开（公告）日：2020-05-19

  本发明公开了一种基于取代茚并噻吩稠环单元的A‑D‑A型共轭分子及其制备方法，以及该类分子作为活性层材料在有机光伏器件中的应用。该型共轭分子具有以下通式结构：在茚并噻吩稠环单元上引入了不同吸电单元烷氧基、氟原子等，利用氟原子、烷氧基的拉电子特性，调节材料的HOMO能级，进而调节光伏电池的开路电压，改善光谱吸收范围，进而提高器件的光电转换效率。
• COMPOSITION FOR ORGANIC DEVICE, POLYMER MEMBRANE AND ORGANIC ELECTROLUMINESCENT DEVICE
  申请人：Mitsubishi Chemical Corporation

  公开号：EP2117062A1

  公开（公告）日：2009-11-11

  A composition for use in an organic device, useful in producing an organic device, such as an organic electroluminescent element, having high operation stability, is a composition for use in an organic device that contains at least two cross-linking compounds, at least two of the cross-linking compounds having different numbers of cross-linking groups. A polymer film produced by forming a film of the composition for use in an organic device and then polymerizing the cross-linking compounds. An organic electroluminescent element that includes an anode and a cathode on a substrate and at least one organic layer disposed between the anode and the cathode, wherein at least one of the at least one organic layer is a layer that is produced by forming a film of the composition for use in an organic device and then polymerizing the cross-linking compounds.

  一种用于有机器件的组合物，可用于生产具有高操作稳定性的有机器件，如有机电致发光元件，它是一种用于有机器件的组合物，含有至少两种交联化合物，其中至少两种交联化合物具有不同数量的交联基团。一种聚合物薄膜，由用于有机设备的组合物形成薄膜，然后将交联化合物聚合而成。一种有机电致发光元件，包括基底上的阳极和阴极，以及设置在阳极和阴极之间的至少一个有机层，其中至少一个有机层是通过形成用于有机器件的组合物薄膜然后聚合交联化合物而产生的层。
• COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT
  申请人：Mitsubishi Chemical Corporation

  公开号：EP3173456A1

  公开（公告）日：2017-05-31

  The present invention relates to a composition for use in an organic device, comprising at least two cross-linking compounds, wherein each of the at least two cross-linking compounds is a polymer that has a hole-transporting site and constitutional repeating units, the at least two polymers having different average numbers of cross-linking groups per constitutional repeating unit and/or different numbers of cross-linking groups in portions other than the constitutional repeating units, and wherein the cross-linking compounds are compounds having a partial structure of the following formula [109]: The present invention further pertains to an organic electroluminescent element that comprises an anode and a cathode on a substrate and at least one organic layer disposed between the anode and the cathode, wherein at least one organic layer is a layer that is produced by forming a film of the composition for use in an organic device above.

  本发明涉及一种用于有机器件的组合物，该组合物包含至少两种交联化合物，其中 至少两种交联化合物中的每一种都是具有空穴传输位点和构型重复单元的聚合物，至少两种聚合物在每个构型重复单元中具有不同的平均交联基团数和/或在构型重复单元以外的部分中具有不同的交联基团数，以及 其中交联化合物是具有下式[109]部分结构的化合物： 本发明还涉及一种有机电致发光元件，该元件包括基底上的阳极和阴极以及设置在阳极和阴极之间的至少一个有机层，其中至少一个有机层是通过形成用于上述有机器件的组合物薄膜而产生的层。