1,3-dibromo-5-n-butylbenzene | 75894-94-9

• 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: 1,3-dibromo-5-n-butylbenzene
• 英文别名: 3,5-Dibromo-4-n-butylbenzene；1,3-dibromo-5-butylbenzene
• CAS: 75894-94-9
• 化学式: C₁₀H₁₂Br₂
• 分子量: 292.013
• InChiKey: UMRPDJSLYFLVNX-UHFFFAOYSA-N

物化性质

• 沸点：
  297.2±20.0 °C(Predicted)
• 密度：
  1.556±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,3-dibromo-5-n-butylbenzene 以 四氢呋喃 、 乙醚 为溶剂， 生成 1,3-bis(chloromercurio)-5-n-butylbenzene
  参考文献：
  名称：

  双和三（二甲基烯丙基）苯：合成，固态结构和再分布反应。

  摘要：

  通过使相应的氯汞基苯与过量的三氯甲烷反应，制得在1,3-（化合物5和6），1,4-（化合物9）和1,3,5-位（化合物12）中含有二甲基烯丙基取代基的苯衍生物。三甲基镓在较高温度下。这些化合物在室温下在溶液中分解，并在温和加热下以固态分解，并消除了三甲基镓，从而得到未知详细组成的低聚缩合产物。通过在高温下用过量的三甲基镓处理，可以将这些缩合产物转化回起始化合物中。的高度空气敏感晶体5，6，9和12适合于X-射线分析是由三甲基镓作为溶剂而获得。X射线晶体学研究表明，存在较高配位的镓原子，这导致形成链状或片状聚合物。观察到9中的镓原子为三角-双锥体配位球。失真的四面体配位在找到符合镓原子5，6，和12。后面的化合物具有不对称的芳基-二甲基烯丙基桥连单元。

  DOI：

  10.1021/om900048c

文献信息

• Synthesis and Structure-Activity Relationship Analysis of 5-HT7 Receptor Antagonists: Piperazin-1-yl Substituted Unfused Heterobiaryls
  作者：Lucjan Strekowski、Jarosław Sączewski、Elizabeth Raux、Nilmi Fernando、Jeff Klenc、Shirish Paranjpe、Aldona Raszkiewicz、Ava Blake、Adam Ehalt、Samuel Barnes、Timothy Baranowski、Shannon Sullivan、Grzegorz Satała、Andrzej Bojarski

  DOI：10.3390/molecules21040433

  日期：——

  A series of piperazin-1-yl substituted unfused heterobiaryls was synthesized as ligands of the 5-HT7 receptors. The goal of this project was to elucidate the structural features that affect the 5-HT7 binding affinity of this class of compounds represented by the model ligand 4-(3-furyl)-2-(4-methylpiperazin-1-yl)pyrimidine (2). The SAR studies included systematical structural changes of the pyrimidine

  合成了一系列哌嗪-1-基取代的未融合杂二芳基作为 5-HT7 受体的配体。该项目的目标是阐明影响由模型配体 4-(3-呋喃基)-2-(4-甲基哌嗪-1-基)嘧啶 (4-(3-furyl)-2-(4-methylpiperazin-1-yl)pyrimidine ( 2）。SAR 研究包括 2 中嘧啶核心部分的系统结构变化到喹唑啉、吡啶和苯，3-呋喃基团到其他杂芳基取代基的变化，4-甲基哌嗪-1-基团的各种类似物的存在，如以及嘧啶的第 5 和第 6 位的额外取代。用烷基取代模型配体中嘧啶的第 6 位导致结合亲和力的显着增加（注意由于命名规则导致的位置编号的变化）。还证明了 4-(3-呋喃基) 部分对于取代的嘧啶的 5-HT7 结合亲和力是至关重要的，尽管嘧啶核心可以用吡啶环代替而不会显着丧失结合亲和力。选定的具有高 5-HT7 结合亲和力的乙基嘧啶 (12) 和丁基嘧啶 (13) 类似物在 cAMP
• Organic Electronic Material, Ink Composition Containing Same, and Organic Thin Film, Organic Electronic Element, Organic Electroluminescent Element, Lighting Device, and Display Device Formed Therewith
  申请人：Funyuu Shigeaki

  公开号：US20120074360A1

  公开（公告）日：2012-03-29

  Provided are: an organic electronic material which can be easily multilayered and that can be used in substrates, such as resin, that cannot be processed at high temperatures; an ink composition containing the same; an organic thin film formed using said organic electronic material or said ink composition; and an organic electronic element and an organic EL element that are formed using said organic thin film and that have a superior luminous efficacy and emission lifespan than conventional elements. Specifically, provided are: an organic electronic material that is characterized by containing an oligomer or a polymer having a structure that branches into three or more directions and has at least one polymerizable substituent; an ink composition containing said organic electronic material; and an organic thin film prepared using the aforementioned organic electronic material. Further, provided are an organic electronic element and an organic electroluminescent element containing said organic thin film.

  提供了以下内容：一种有机电子材料，可以轻松地多层堆叠，并可用于无法在高温下加工的基板，例如树脂；包含相同材料的墨水组合物；使用该有机电子材料或该墨水组合物形成的有机薄膜；以及使用该有机薄膜形成的有机电子元件和有机EL元件，其具有比传统元件更优异的发光效率和发射寿命。具体而言，提供了一种有机电子材料，其特征在于包含具有分支结构且向三个或更多方向分支的寡聚物或聚合物，并具有至少一个可聚合取代基；包含该有机电子材料的墨水组合物；以及使用上述有机电子材料制备的有机薄膜。此外，还提供了包含该有机薄膜的有机电子元件和有机电致发光元件。
• POLYMER OR OLIGOMER, HOLE TRANSPORT MATERIAL COMPOSITION, AND ORGANIC ELECTRONIC ELEMENT USING SAME
  申请人：Hitachi Chemical Co., Ltd.

  公开号：EP3106485A1

  公开（公告）日：2016-12-21

  An embodiment of the present invention relates to a polymer or oligomer (A) containing a structural unit with hole transport properties, and also containing at least one type of organic group selected from the group consisting of groups having an ester linkage, groups having a carbonyl linkage, groups having an amide linkage, and groups having an imide linkage.

  本发明的一个实施方案涉及一种聚合物或低聚物（A），该聚合物或低聚物含有一个具有孔传输特性的结构单元，还含有至少一种有机基团，这些有机基团选自具有酯连接的基团、具有羰基连接的基团、具有酰胺连接的基团和具有酰亚胺连接的基团组成的组。
• ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION CONTAINING SAME, AND ORGANIC THIN FILM, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, AND DISPLAY DEVICE FORMED THEREWITH
  申请人：Showa Denko Materials Co., Ltd.

  公开号：EP2439804B1

  公开（公告）日：2021-07-21
• ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION CONTAINING SAME, AND ORGANIC THIN FILM, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELETROLUMINESCENT ELEMENT, LIGHTING DEVICE, AND DISPLAY DEVICE FORMED THEREWITH
  申请人：Hitachi Chemical Company, Ltd.

  公开号：US20180145257A1

  公开（公告）日：2018-05-24

  Provided are: an organic electronic material which can be easily multilayered and that can be used in substrates, such as resin, that cannot be processed at high temperatures; an ink composition containing the same; an organic thin film formed using said organic electronic material or said ink composition; and an organic electronic element and an organic EL element that are formed using said organic thin film and that have a superior luminous efficacy and emission lifespan than conventional elements. Specifically, provided are: an organic electronic material that is characterized by containing an oligomer or a polymer having a structure that branches into three or more directions and has at least one polymerizable substituent; an ink composition containing said organic electronic material; and an organic thin film prepared using the aforementioned organic electronic material. Further, provided are an organic electronic element and an organic electroluminescent element containing said organic thin film.