1,4-二溴-2,5-二丁氧基苯 | 128915-84-4

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1,4-二溴-2,5-二丁氧基苯
• 英文名称: 1,4-dibromo-2,5-dibutoxybenzene
• CAS: 128915-84-4
• 化学式: C₁₄H₂₀Br₂O₂
• 分子量: 380.12
• InChiKey: XCQQVOXIIWKRLJ-UHFFFAOYSA-N

物化性质

• 熔点：
  76-77 °C
• 沸点：
  380.7±37.0 °C(Predicted)
• 密度：
  1.413±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 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：

  1,4-二溴-2,5-二丁氧基苯 在 正丁基锂 、 硼酸三异丙酯 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 24.66h， 以46%的产率得到(4-bromo-2,5-dibutoxyphenyl)boronic acid
  参考文献：
  名称：

  Aryl Trihydroxyborate Salts: Thermally Unstable Species with Unusual Gelation Abilities

  摘要：

  A series of aryl trihydroxyborate salts were synthesized and found to form gels in benzene. The compounds were thermally unstable and readily underwent protodeboronation in solution and the solid state. Gelation could be induced without decomposition via sonication. Subsequent characterization studies revealed an unusual dependence of gel properties on alkyl chain length.

  DOI：

  10.1021/jo201353j
• 作为产物：
  描述：

  1,4-二丁氧基苯 在 溴 、 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 3.0h， 以78%的产率得到1,4-二溴-2,5-二丁氧基苯
  参考文献：
  名称：

  杂芳基对共轭聚合物电化学和光谱性质的影响

  摘要：

  在我们寻找新型共轭化合物的过程中，合成并表征了新型单体及其带有硒烯和碲烯基的聚合物。共轭聚（对亚苯基亚乙烯基）（PPV）衍生物由于具有光致发光特性而备受关注。1,4-双（2-（杂芳基-2-基）乙烯基）苯和1,4-双（杂芳基-2-基）苯与碲，硒基，噻吩和呋喃类单体的立体控制合成已经成功执行。已经合成，电化学聚合和表征了八种对-亚苯基衍生物。

  DOI：

  10.1016/j.electacta.2012.08.020

文献信息

• Diverse structures of metal–organic frameworks via a side chain adjustment: interpenetration and gas adsorption
  作者：Kang Shen、Ling Qin、He-Gen Zheng

  DOI：10.1039/c6dt03086f

  日期：——

  hindrance for the pendant –Me group leads to the formation of a parallel stacked network. Therefore, compounds 1 and 2 feature 3D structures with inclined polycatenation (2D + 2D → 3D); compound 3 exhibits a non-interpenetrated 2D + 2D → 2D parallel stacked network. These complexes have been characterized by single crystal X-ray diffraction, infrared spectroscopy, thermogravimetry, elemental analysis

  基于三个具有不同侧链的线性吡啶配体和一个柔性V型二羧酸酯共配体，合成了三种新的配位聚合物：[Co（L1）0.5（sdb）]} n（1），[Co（L2）0.5（sdb）]·1.5H 2 O} n（2）和[Co（L3）0.5（sdb）]·2DMF} n（3）（L1 = E，E -2,5-二辛氧基-1， 4-双-[2-吡啶-乙烯基]-苯; L2 = E，E-2,5-二丁氧基-1,4-双-[2-吡啶-乙烯基]-苯; L 3＝E，E -2，5-二甲氧基-1，4-双-[2-吡啶-乙烯基]-苯；H 2 sdb = 4,4'-磺酰基二苯甲酸）。复杂体1-3是4连接的sql网络，其点符号为4 4 ·6 2 }。骨架的互穿形式和孔隙率已通过侧链延长得到很好的控制。吊坠–O n Oct和–O n的较大空间位阻但是，基团会导致各层之间的排斥力更大，并且有效构造了倾斜的多聚类别。吊坠-Me组的较小空间位阻导
• Influence of heteroaryl group on electrochemical and spectroscopic properties of conjugated polymers
  作者：P. Data、M. Lapkowski、R. Motyka、J. Suwinski

  DOI：10.1016/j.electacta.2012.08.020

  日期：2012.11

  During our search for novel conjugated compounds, novel monomers and their polymers with selenophene and tellurophene group were synthesized and characterized. Conjugated poly(p-phenylenevinylenes)s (PPV) derivatives attracted a large attention due to their photolouminescence properties. The stereocontrolled synthesis of 1,4-bis(2-(heteroar-2-yl) ethenyl)benzenes and 1,4-bis(heteroar-2-yl)benzenes

  在我们寻找新型共轭化合物的过程中，合成并表征了新型单体及其带有硒烯和碲烯基的聚合物。共轭聚（对亚苯基亚乙烯基）（PPV）衍生物由于具有光致发光特性而备受关注。1,4-双（2-（杂芳基-2-基）乙烯基）苯和1,4-双（杂芳基-2-基）苯与碲，硒基，噻吩和呋喃类单体的立体控制合成已经成功执行。已经合成，电化学聚合和表征了八种对-亚苯基衍生物。
• Boronate Ester‐Capped Helicates
  作者：Erica Giraldi、Adrien B. Depallens、Daniel Ortiz、Farzaneh Fadaei‐Tirani、Rosario Scopelliti、Kay Severin

  DOI：10.1002/chem.202001392

  日期：2020.6.18

  Triple‐stranded helicates were obtained by metal‐templated multicomponent reactions of bispyridyloxime ligands with arylboronic acids. The helicates feature two hexa‐coordinated MII ions (M=Fe, Zn, or Mn), which are embedded in a macrobicyclic ligand framework, and two arylboronate ester capping groups. The latter can be used to introduce functional groups such as pyridines, aldehydes, nitriles, and

  通过双吡啶肟肟配体与芳基硼酸的金属模板多组分反应获得三链螺旋。螺旋分子具有两个六配位的M II离子（M = Fe，Zn或Mn），它们嵌入大双环配体骨架中，并带有两个芳基硼酸酯封端基团。后者可用于在顶端位置引入官能团，例如吡啶，醛，腈和羧酸。功能化的螺旋分子有潜力用作更复杂组装的纳米级构建基块，如合成3 nm尺寸的trianglimine所证明的。
• The influence of crystal packing on the solid state fluorescence behavior of alkyloxy substituted phenyleneethynylenes
  作者：Reji Thomas、Shinto Varghese、G. U. Kulkarni

  DOI：10.1039/b902937k

  日期：——

  The study reports the solid state photophysical properties of a series of alkyloxy-substituted oligo(phenyleneethynylene)s, methoxy to hexyloxy, supported by a detailed analysis of molecular packing obtained from single crystal X-ray diffraction data. While the emission peaks are highly red shifted (by as much as 114 nm) in the solid state, all molecules exhibit similar absorption and emission in dilute solutions. The red shift is maximum in ethoxy and minimum in methoxy, while other crystalline films exhibit intermediate values. In the crystal structures, the spacing between the molecular pairs forming the J-aggregates is varied between 3.48 to 4.65 Å, with no systematic dependence on the chain length. The red shifted emission maximum is found to vary linearly with the spacing between the interacting molecules in the J-aggregate. Thus, the emission in the solid state is determined by the extent of dipolar coupling between the molecules, the alkyl chain length influencing the properties only indirectly.

  研究报告了一系列烷氧基取代的低聚（苯乙炔）在固态下的光物理特性，这些取代基的范围从甲氧基到己氧基，研究得到了来自单晶X射线衍射数据的详细分子堆积分析。虽然在固态下发射峰大幅红移（红移幅度可达114纳米），但所有分子在稀溶液中的吸收和发射特性相似。红移在乙氧基中最大，在甲氧基中最小，而其他结晶薄膜则表现出中间值。在晶体结构中，形成J-聚集体的分子对之间的间距介于3.48到4.65 Å之间，且与链长没有系统的依赖关系。红移的发射最大值被发现与J-聚集体中相互作用分子之间的间距呈线性变化。因此，固态下的发射特性由分子之间的偶极耦合程度决定，烷基链的长度仅间接影响这些特性。
• The preparations and some properties of mixed aryl-thienyl oligomers and polymers
  作者：Andrew Pelter、Ieuan Jenkins、D.Elfyn Jones

  DOI：10.1016/s0040-4020(97)00629-7

  日期：1997.7

  The syntheses by transition metal coupling reactions of a large number of oligomers constructed from benzene and thiophene rings are described. The first use of arylcadmium chlorides for such coupling reactions is reported. The routes chosen allow for rational variation in the modes of linkage, the substitution and the proportions of the two units. The benzene and thiophene rings are always joined

  描述了通过过渡金属偶合反应合成由苯和噻吩环构成的大量低聚物。据报道，芳基氯化镉首次用于这种偶联反应。选择的途径允许在连接方式，取代和两个单元的比例方面进行合理的变化。苯环和噻吩环始终以已知顺序连接，并且可以带有各种规则间隔的官能团。另外，低聚物的形状可以任意改变。在所有情况下，碘或氯化铁的p型掺杂都会导致电导率大大提高。

表征谱图