3,3’-bis(hexyloxy)-1,1’-biphenyl | 1086283-92-2

• 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: 3,3’-bis(hexyloxy)-1,1’-biphenyl
• 英文别名: 3,3'-bis(n-hexyloxy)-1,1'-biphenyl；1-Hexoxy-3-(3-hexoxyphenyl)benzene
• CAS: 1086283-92-2
• 化学式: C₂₄H₃₄O₂
• 分子量: 354.533
• InChiKey: DCPUIPCHDHYKQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  26
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3’-bis(hexyloxy)-1,1’-biphenyl 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 乙腈 为溶剂， 反应 1.5h， 生成 6-bromo-3,3'-bis(n-hexyloxy)-1,1'-biphenyl
  参考文献：
  名称：

  A Facile Synthesis of Elusive Alkoxy-Substituted Hexa-peri-hexabenzocoronene

  摘要：

  Oxidative cyclodehydrogenation of hexakis(4-alkoxyphenyl)benzene produces a quantitative yield of an indenofluorene derivative rather than the expected alkoxy-substituted hexa-peri-hexabenzocoronene (HBC). The structure of the unexpected indenofluorene was established by X-ray crystallography. The mechanistic considerations for the formation of the indenofluorene derivative led us to devise an alternative synthesis of elusive alkoxy-substituted HBC-a potentially important, disk-shaped structure for the preparation of liquid crystalline materials for practical applications in the emerging areas of molecular electronics and nanotechnology.

  DOI：

  10.1021/ol8020429
• 作为产物：
  描述：

  1-溴-3-己氧基苯 在 正丁基锂 、 硼酸三甲酯 、 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 、 正己烷 、 乙醇 、 水 、 甲苯 为溶剂， 反应 40.0h， 以69%的产率得到3,3’-bis(hexyloxy)-1,1’-biphenyl
  参考文献：
  名称：

  A Facile Synthesis of Elusive Alkoxy-Substituted Hexa-peri-hexabenzocoronene

  摘要：

  Oxidative cyclodehydrogenation of hexakis(4-alkoxyphenyl)benzene produces a quantitative yield of an indenofluorene derivative rather than the expected alkoxy-substituted hexa-peri-hexabenzocoronene (HBC). The structure of the unexpected indenofluorene was established by X-ray crystallography. The mechanistic considerations for the formation of the indenofluorene derivative led us to devise an alternative synthesis of elusive alkoxy-substituted HBC-a potentially important, disk-shaped structure for the preparation of liquid crystalline materials for practical applications in the emerging areas of molecular electronics and nanotechnology.

  DOI：

  10.1021/ol8020429

文献信息

• [EN] FUSED BIS-ARYL FULLERENE DERIVATIVES<br/>[FR] DÉRIVÉS DE FULLERÈME BIS-ARYLE FUSIONNÉS
  申请人：MERCK PATENT GMBH

  公开号：WO2015149905A1

  公开（公告）日：2015-10-08

  The invention relates to novel fullerene derivatives, to methods for their preparation and educts or intermediates used therein, to mixtures and formulations containing them, to the use of the fullerene derivatives, mixtures and formulations as organic semiconductors in, or for the preparation of, organic electronic (OE) devices, especially organic photovoltaic (OPV) devices and organic photodetectors (OPD), and to OE, OPV and OPD devices comprising, or being prepared from, these fullerene derivatives, mixtures or formulations.

  该发明涉及新型富勒烯衍生物，以及其制备方法和其中使用的底物或中间体，包含它们的混合物和配方，以及将富勒烯衍生物、混合物和配方作为有机半导体在有机电子（OE）设备中使用，特别是在有机光伏（OPV）设备和有机光电探测器（OPD）中使用，以及包含这些富勒烯衍生物、混合物或配方的OE、OPV和OPD设备，或者从这些富勒烯衍生物、混合物或配方中制备的设备。
• Fused bis-aryl fullerene derivatives
  申请人：MERCK PATENT GMBH

  公开号：US10388879B2

  公开（公告）日：2019-08-20

  The invention relates to novel fullerene derivatives, to methods for their preparation and educts or intermediates used therein, to mixtures and formulations containing them, to the use of the fullerene derivatives, mixtures and formulations as organic semiconductors in, or for the preparation of organic electronic (OE) devices, especially organic photovoltaic (OPV) devices and organic photodetectors (OPD), and to OE, OPV and OPD devices comprising, or being prepared from, these fullerene derivatives, mixtures or formulations.

  本发明涉及新型富勒烯衍生物，涉及其制备方法和其中使用的助剂或中间体，涉及含有这些衍生物的混合物和制剂，涉及将这些富勒烯衍生物、混合物和制剂用作有机电子（OE）器件，特别是有机光伏（OPV）器件和有机光电探测器（OPD）中的有机半导体或用于制备有机电子（OE）器件，还涉及包含这些富勒烯衍生物、混合物或制剂或由这些富勒烯衍生物、混合物或制剂制备的 OE、OPV 和 OPD 器件。
• FUSED BIS-ARYL FULLERENE DERIVATIVES
  申请人：Merck Patent GmbH

  公开号：EP3126317A1

  公开（公告）日：2017-02-08
• CROSS-CONJUGATED POLYMER, MATERIAL FOR ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US20180090687A1

  公开（公告）日：2018-03-29

  A cross-conjugated polymer having a hole transporting property and a solubility suitable for forming a film by coating, a material including the polymer for electronic device and organic electroluminescence device, a solution including the polymer, and an organic electroluminescence device are described. The organic electroluminescence device contains a cathode, an anode, and at least one organic thin film layer disposed between the cathode and the anode and contains a light emitting layer. At least one of the at least one organic thin film layer is a hole injecting layer or a hole transporting layer, and at least one of the hole injecting layer and the hole transporting layer contains the cross-conjugated polymer having a structural unit (A) for forming a cross-conjugation system as a repeating unit and a substituent X containing at least one of an arylamine portion, a carbazole portion, and an indole portion as a side chain.