2-bromo-6-dodecyloxynaphthalene | 212079-31-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-bromo-6-dodecyloxynaphthalene
• 英文别名: 6-bromo-2-dodecyloxynaphthalene；2-Brom-6-dodecyloxynaphthalin；2-bromo-6-dodecoxynaphthalene
• CAS: 212079-31-7
• 化学式: C₂₂H₃₁BrO
• 分子量: 391.392
• InChiKey: VXJNNJOYAJZBSK-UHFFFAOYSA-N

物化性质

• 沸点：
  469.7±18.0 °C(Predicted)
• 密度：
  1.133±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  24
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-bromo-6-dodecyloxynaphthalene 在 正丁基锂 、 potassium tert-butylate 、 四丁基氢氧化铵 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 叔丁醇 为溶剂， 反应 8.5h， 生成
  参考文献：
  名称：

  Synthesis and Characterization of Novel Optically Active Polyarylene Vinylenes with Controlled Effective Conjugation Length

  摘要：

  New chiral and soluble binaphthyl derivatives (12 and 13) endowed with carboxaldehyde or cyanomethyl functional groups have been prepared as suitable building blocks for the synthesis by Knoevenagel condensation of a series of optically active block copolymers (1-7) with controlled effective conjugation length. A variety of functionalized co-monomers (14-19) have been prepared by different synthetic procedures to be used in further polymerization reactions with binaphthyl derivatives 12 and 13. Depending upon the nature of the co-monomers, it is possible to tune the wavelength of the new polymers, which is very close to that of the respective repeating units. Fluorescence measurements on polymers 1-3 reveal a strong blue-green emission with Stokes shifts of 74-107 nm. Theoretical calculations at the semiempirical AM-1 level have been carried out on model compounds, and the calculated torsion angles are in agreement with the electronic spectra data. Finally, the redox properties of the polymers prepared (1-7) were determined by cyclic voltammetry, and an amphoteric behavior with oxidation potentials ranging from 1.1 to 1.6 V and reduction potentials close to -1.5 V was found.

  DOI：

  10.1021/jo000761k
• 作为产物：
  描述：

  6-溴-2-萘酚 、 溴代十二烷 在 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 反应 0.25h， 生成 2-bromo-6-dodecyloxynaphthalene
  参考文献：
  名称：

  5-脂氧合酶的异羟肟酸抑制剂。

  摘要：

  可以将异羟肟酸官能团掺入多种简单分子中，以产生有效的5-脂氧合酶抑制剂。作为一个例子，提出了一系列ω-苯基烷基和ω-萘基异羟肟酸的结构-活性关系。所描述的特征包括疏水性，芳基取代和异羟肟酸酯基团的修饰对酶抑制效能的影响。为了帮助选择更有效的异羟肟酸抑制剂，设计了一个关于酶抑制剂结合性质的简单假设。在该假设中，当与酶结合时，化合物的结构与花生四烯酸的拟议几何形状匹配。预测最匹配而不扩展到不利区域的化合物是最好的抑制剂。描述了根据该方法选择的三个系列的异羟肟酸酯。在这些系列中，有一些迄今为止报道的最有效的5-脂氧合酶抑制剂。

  DOI：

  10.1021/jm00386a022

文献信息

• Synthese und flüssigkristalline Eigenschaften 2,6-disubstituierter Naphthaline
  作者：Urs H. Lauk、Peter Skrabal、Heinrich Zollinger

  DOI：10.1002/hlca.19850680533

  日期：1985.8.14

  Synthesis and Liquid-Crystal Properties of 2,6-Disubstituted Naphthalene Derivatives

  2,6-二取代萘衍生物的合成及液晶性能
• Hydroxamic acid inhibitors of 5-lipoxygenase
  作者：James B. Summers、Hormoz Mazdiyasni、James H. Holms、James D. Ratajczyk、Richard D. Dyer、George W. Carter

  DOI：10.1021/jm00386a022

  日期：1987.3

  selection of more potent hydroxamic acid inhibitors, a simple hypothesis about the nature of enzyme-inhibitor binding was devised. In this hypothesis, the structures of compounds were matched to a proposed geometry of arachidonic acid when bound to the enzyme. Compounds that match best without extending into disfavored regions were predicted to be the best inhibitors. Three series of hydroxamates selected

  可以将异羟肟酸官能团掺入多种简单分子中，以产生有效的5-脂氧合酶抑制剂。作为一个例子，提出了一系列ω-苯基烷基和ω-萘基异羟肟酸的结构-活性关系。所描述的特征包括疏水性，芳基取代和异羟肟酸酯基团的修饰对酶抑制效能的影响。为了帮助选择更有效的异羟肟酸抑制剂，设计了一个关于酶抑制剂结合性质的简单假设。在该假设中，当与酶结合时，化合物的结构与花生四烯酸的拟议几何形状匹配。预测最匹配而不扩展到不利区域的化合物是最好的抑制剂。描述了根据该方法选择的三个系列的异羟肟酸酯。在这些系列中，有一些迄今为止报道的最有效的5-脂氧合酶抑制剂。
• Liquid crystalline compounds and process for producing the same
  申请人：DAI NIPPON PRINTING CO., LTD.

  公开号：EP0860417B1

  公开（公告）日：2003-05-07
• LASK, U. H.;SKRABAL, P.;ZOLLINGER, H., HELV. CHIM. ACTA, 1985, 68, N 5, 1406-1426
  作者：LASK, U. H.、SKRABAL, P.、ZOLLINGER, H.

  DOI：——

  日期：——
• Organic electroluminescent display device and chemical compounds for liquid crystals
  申请人：Kido Junji

  公开号：US20070164257A1

  公开（公告）日：2007-07-19

  The new organic electroluminescent display device has a carrier-transporting layer and/or an organic luminous layer composed of a nematic liquid crystal or a liquid crystal dispersing a carrier-transporting low-molecule therein. When the organic luminous layer is to be bestowed with faculty as a liquid crystal, it is made of a nematic liquid crystal. Both the carrier-transporting layer and the organic luminous layer may be bestowed with faculty as a liquid crystal. Since the liquid crystal is incorporated in the carrier-transporting layer and/or the organic luminous layer, the display device can be driven as a liquid crystal display device in a dark place by charging with a voltage lower than a light emission initiating potential. Of course, it is driven as an electroluminescent display device when it is charged with a voltage higher than the light emission initiating potential. Use of an electroluminescent liquid crystal as a organic luminous layer enables omission of a carrier-transporting layer.