1,4-二溴-2,5-二(庚氧基)苯 | 137436-29-4

• 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(庚氧基)苯
• 中文别名: 苄氧基羰基-α-氨基异丁酰-甘氨酰-α-氨基异丁酰-亮氨酰-α-氨基异丁酰-叔-丁基酯
• 英文名称: 1,4-dibromo-2,5-diheptyloxybenzene
• 英文别名: 1,4-dibromo-2,5-bis(heptyloxy)benzene；1,4-dibromo-2,5-diheptoxybenzene
• CAS: 137436-29-4
• 化学式: C₂₀H₃₂Br₂O₂
• 分子量: 464.281
• InChiKey: HEQPSDQYWNCHDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  24
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 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(庚氧基)苯 在 正丁基锂 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 苯 为溶剂， 反应 48.66h， 生成 sodium (4-bromo-2,5-bis(heptyloxy)phenyl)trihydroxyborate
  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：

  对苯二酚 在 溴 、 溶剂黄146 、 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 5.0h， 生成 1,4-二溴-2,5-二(庚氧基)苯
  参考文献：
  名称：

  Synthesis of a new diarylhydrazone derivative and an evaluation of its in vitro biofilm inhibition and quorum sensing disruption along with a molecular docking study

  摘要：

  针对法定人数感应和生物膜抑制的分子是有用的抗菌剂。为此，我们合成了一种新的二芳基腙，并利用红外线、高分辨率质谱和核磁共振实验对其进行了表征，即 N-[(E)-4-溴-2,5-二庚基氧基亚苄基氨基]-2,4-二硝基苯胺（BHBANA）。最低抑制浓度（MICs）为 0.625 至 2.5 mg mL-1。对该化合物进行了体外筛选，以确定其在 MIC 和亚 MIC 浓度下对由法定量传感介导的 CV12472 粗毛茵产生的粗毛茵抑制作用，结果显示抑制百分比从 MIC 浓度下的 100% 到 MIC/32 浓度下的 5.7% ± 0.2%不等。BHBANA 在 MIC 和 MIC/2 浓度下对 Chromobacterium violaceum CV026 的抗菌区直径分别为 10.5 ± 0.3 毫米和 7.0 ± 0.1 毫米。BHBANA 对铜绿假单胞菌 PA01 的鞭毛虫群集运动具有浓度依赖性抑制作用，在 MIC 值为 28.30% ± 0.50% μg mL-1 时抑制率最高。该产品可抑制生物膜的形成，对金黄色葡萄球菌的生物膜抑制效果最好，从 72.24% ± 0.86% （MIC）到 09.82% ± 0.10% （MIC/8）不等。利用 Schrodinger 软件进行的分子对接研究确定了 BHBANA 与奇异变形杆菌不同受体区之间的相互作用，这种相互作用可阻断致病基因的表达。研究结果表明，BHBANA 具有降低微生物毒力的潜力。

  DOI：

  10.1177/17475198231184603

文献信息

• New soluble rigid rod copolymers comprising alternating 2-amino-pyrimidine and phenylene repeat units: Syntheses, characterization, optical and electrochemical properties
  作者：Xirali Mamtimin、Rukiya Matsidik、Ismayil Nurulla

  DOI：10.1016/j.polymer.2009.11.010

  日期：2010.1

  organic solvents and trifloroacetic acid and exhibited good thermal stability. They emitted green light under UV irradiation in solid state and blue or green light in solution phase, respectively. Electrochemical behavior of these new polymers depicted facile p-doping and good electron-transporting properties. These polymers displayed bathochromic shift when protonated with CH3SO3H acid in chloroform solutions

  通过Sonogashira缩聚反应，在2-氨基-4,6-二碘乙嘧啶和1,4-二溴-2,5-二烷氧基苯之间制备了一种新型的2-氨基嘧啶的π共轭共聚物。通过FT-IR，1 H NMR和13 C NMR，荧光光谱，凝胶渗透色谱，热分析和元素分析来阐明共聚物的结构。衍生的聚合物可溶于常见的有机溶剂和三氟乙酸，并表现出良好的热稳定性。他们分别在固态紫外线照射下发出绿光和溶液相发出蓝光或绿光。这些新型聚合物的电化学行为描述浅显p掺杂和良好的电子传输性能。当用CH质子化这些聚合物显示红移3 SO 3 H酸在氯仿溶液或米甲酚溶液和红移峰，观察到从490纳米至652纳米。共聚物的XRD图谱表明，随着烷氧基链长度的增加，峰的强度增加。
• PHOSPHORESCENT ORGANIC COMPOUNDS
  申请人：Kim Jinsang

  公开号：US20120248337A1

  公开（公告）日：2012-10-04

  Compositions providing metal-independent phosphorescence due to a directed heavy atom effect are provided. Methods of providing a phosphorescent composition are also provided where a directed heavy atom effect is maintained to cause the composition to be phosphorescent. Manufacture of phosphorescent compositions using intermolecular and intramolecular directed heavy atom effects are disclosed.

  本发明提供了由定向重原子效应引起的独立于金属的磷光性的组合物。还提供了提供磷光性组合物的方法，其中维持定向重原子效应以使组合物呈现磷光性。揭示了使用分子间和分子内定向重原子效应制造磷光性组合物的制造方法。
• Donor–Acceptor–Donor-based π-Conjugated Oligomers for Nonlinear Optics and Near-IR Emission
  作者：Stefan Ellinger、Kenneth R. Graham、Pengjie Shi、Richard T. Farley、Timothy T. Steckler、Robert N. Brookins、Prasad Taranekar、Jianguo Mei、Lazaro A. Padilha、Trenton R. Ensley、Honghua Hu、Scott Webster、David J. Hagan、Eric W. Van Stryland、Kirk S. Schanze、John R. Reynolds

  DOI：10.1021/cm201424a

  日期：2011.9.13

  A family of multi-heterocycle donor acceptor donor (DAD) telechelic conjugated oligomers designed for two-photon absorption (2PA) and emission in the near-infrared (near-IR) were prepared, and the relationship between their spectral, structural, and electrochemical properties were investigated. These oligomers, based on electron-rich thiophene, phenylene, and 3,4-ethylenedioxythiophene (EDOT) units as donors along with electron-deficient benzothiadiazole or its derivative units as acceptors, have been characterized through linear absorbance and fluorescence measurements, nonlinear absorbance, cyclic voltammetry, and differential pulse voltammetry to demonstrate the evolution of narrow HOMO-LUMO gaps ranging from 1.05 to 1.95 eV, with the oligomers composed of EDOT and benzo[1,2-c,3,4-c']bis[1,2,5]thiadiazole (BBT) exhibiting the narrowest gap. The absorption maxima ranges from 517 to 846 nm and the fluorescence maxima ranges from 651 to 1088 nm for the different oligomers. Z-scan and two-photon fluorescence were used to measure the frequency degenerate 2PA of the different oligomers. The oligomer's 2PA cross sections ranged from 900-3500 GM, with the oligomer containing EDOT donor units and a BBT acceptor unit exhibiting the largest 2PA cross section. The use of these oligomers in red to near-IR emitting polymer light-emitting diodes (PLEDs) was demonstrated by blending the soluble emitting oligomers into a suitable host matrix. Energy transfer from the matrix to the emitting oligomer can be achieved, resulting in PLEDs with pure oligomer emission.
• Versatility within (4,4) networks assembled from 1,4-bis(n-alkyloxy)-2,5-bis(3,2′:6′,3′'-terpyridin-4′-yl)benzene and [Cu(hfacac)2] (Hhfacac = 1,1,1,5,5,5-hexafluoropentane-2,4-dione)
  作者：Simona S. Capomolla、Giacomo Manfroni、Alessandro Prescimone、Edwin C. Constable、Catherine E. Housecroft

  DOI：10.1016/j.poly.2022.116005

  日期：2022.9
• Novel polymers comprising benzotriazole for use in optical devices
  申请人：Rogers Jonathan

  公开号：US20070043204A1

  公开（公告）日：2007-02-22

  The present invention relates to polymers comprising benzotriazole containing repeating units. Optical devices, comprising the polymers of the present invention, can show significant advantages in color purity, device efficiency and/or operational lifetime. In addition, the polymers can have good solubility characteristics and relatively high glass transition temperatures, which facilitates their fabrication into coatings and films that are relatively thin, thermally stable, and relatively free of defects.