3,4,5-tristetradecyloxybenzyl bromide | 1228969-38-7

• 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: 3,4,5-tristetradecyloxybenzyl bromide
• CAS: 1228969-38-7
• 化学式: C₄₉H₉₁BrO₃
• 分子量: 808.164
• InChiKey: KXWBPLBEGLVIQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.82
• 重原子数：
  53.0
• 可旋转键数：
  43.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3,4,5-tristetradecyloxybenzyl bromide 、 地匹乙酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 2.0h， 生成 3-(((3,4,5-tris(tetradecyloxy)benzyl)oxy)carbonyl)-1,2-phenylene diacetate
  参考文献：
  名称：

  Tuning the Polarity of Hierarchically Assembled Helicates

  摘要：

  含有3位酯基的儿茶酚配体（1a,b, 2）是形成三锂桥联的双核螺旋型复合物 [Li3(1a,b,2)6Ti2]- 的构建块。对酯基单位添加适当的功能团可以精细调节化合物的极性，从而使其在高度非极性和高度极性的溶剂中具有溶解性。研究表明，内部双核核心在多种溶剂中是稳定的，甚至在水中也是如此。

  DOI：

  10.1055/s-0029-1218684
• 作为产物：
  描述：

  溴代十四烷 在 lithium aluminium tetrahydride 、 三溴化磷 、 potassium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 丁酮 为溶剂， 反应 72.0h， 生成 3,4,5-tristetradecyloxybenzyl bromide
  参考文献：
  名称：

  具有介晶4-吡啶酮衍生物的宽范围柱状和层状光致发光液晶镧系元素配合物

  摘要：

  各种镧系元素离子（Eu等，作为系列液晶的III，SM III和Tb III）的设计，并从相应的镧系元素硝酸盐和开始制备Ñ带有介晶的3,4,5-三（烷氧基）苄基部分的烷基化的4-吡啶酮衍生物（烷基=己基，辛基，癸基，十二烷基，十四烷基或十六烷基）。通过差示扫描量热法，偏光光学显微镜和温度依赖性粉末X射线衍射（XRD）的组合研究了这些新的镧系元素基因元的介晶性质。通过热重分析评估它们的热稳定性。所有这些配合物在较短链的配合物（C 6和C 8）或六方柱状相（Col h）的情况下均具有层状（SmA）相的对映体液晶行为，而对于具有较长烷基链的配合物（C 12，C 14和C 16），根据它们的特征纹理和XRD研究进行分配。对于在侧链（C 10）具有中等碳原子数的配合物，在较低温度下为层状相，在较高温度下为Col h相。在固态下，所有这些络合物都显示出分配给相应镧系元素离子的特征性发射。此外，发光衰减曲

  DOI：

  10.1002/chem.201801781

文献信息

• Liquid crystalline macrocyclic azacalix[4]pyridine and its complexes with the zinc ion: conformational change from the saddle to flattened shape
  作者：Shi-Xin Fa、Xiao-Fang Chen、Shuang Yang、De-Xian Wang、Liang Zhao、Er-Qiang Chen、Mei-Xiang Wang

  DOI：10.1039/c5cc01018g

  日期：——

  Substituted with four 3,4,5-tris(alkoxy)benzyl mini-dendrons, azacalix[4]pyridine (1) with the saddle-shaped core is the first liquid crystal (LC) of heteracalixaromatics. Conformational regulation of azacalix[4]pyridine by complexing with the zinc ion leads to a significant change in LC properties.

  具有马鞍形核的azacalix [4]吡啶（1）取代了四个3,4,5-三（烷氧基）苄基迷你树枝状结构，是杂芳烃的第一个液晶（LC）。通过与锌离子络合，构象调节氮杂杯[4]吡啶导致LC特性发生重大变化。
• Induction of Thermotropic Bicontinuous Cubic Phases in Liquid-Crystalline Ammonium and Phosphonium Salts
  作者：Takahiro Ichikawa、Masafumi Yoshio、Atsushi Hamasaki、Satomi Taguchi、Feng Liu、Xiang-bing Zeng、Goran Ungar、Hiroyuki Ohno、Takashi Kato

  DOI：10.1021/ja209010m

  日期：2012.2.8

  Two series of wedge-shaped onium salts, one ammonium and the other phosphonium, having 3,4,5-tris(alkyloxy)benzyl moieties, exhibit thermotropic bicontinuous "gyroid" cubic (Cub(bi)) and hexagonal columnar liquid-crystalline (LC) phases by nanosegregation between ionophilic and ionophobic parts. The alkyl chain lengths on the cationic moieties, anion species, and alkyl chain lengths on the benzyl moieties have crucial effects on their thermotropic phase behavior. For example, triethyl-[3,4,5-tris(dodecyloxy)benzyl]ammonium hexafluorophosphate forms the thermotropic Ia (3) over bard Cub(bi) LC phase, whereas an analogous compound with trifluoromethanesulfonate anion shows no LC properties. Synchrotron small-angle diffraction intensities from the Ia (3) over bard Cub(bi) LC materials provide electron density maps in the bulk state. The resulting maps show convincingly that the Ia (3) over bard Cub(bi) structure is composed of three-dimensionally interconnected ion nanochannel networks surrounded by aliphatic domains. A novel differential mapping technique has been applied successfully. The map of triethyl-[3,4,5-tris(decyloxy)benzynammonium tetrafluoroborate has been subtracted from that of the analogous ammonium salt with hexafluorophosphate anion in the Ia (3) over bard Cub(bi) phases. The differential map shows that the counteranions are located in the core of the three-dimensionally interconnected nanochannel networks. Changing from trimethyl- via triethyl- to tripropylammonium cation changes the phase from columnar to Cub(bi) to no mesophase, respectively. This sensitivity to the widened shape for the narrow end of the molecule is explained successfully by the previously proposed semiquantitative geometric model based on the radial distribution of volume in wedge-shaped molecules. The LC onium salts dissolve lithium tetrafluoroborate without losing the Ia (3) over bard Cub(bi) LC phase. The Cub(bi) LC materials exhibit efficient ion-transporting behavior as a result of their 3D interconnected ion nanochannel networks. The Ia (3) over bard Cub(bi) LC material formed by triethyl-[3,4,5tris(decyloxy)benzyl]phosphonium tetrafluoroborate shows ionic conductivities higher than the analogous Ia (3) over bard Cub(bi) material based on ammonium salts. The present study indicates great potential of Cub(bi) LC nanostructures consisting of ionic molecules for development of transportation nanochannel materials.