3,4-Bis-octadecyloxy-benzoic acid methyl ester | 180678-31-3

• 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-Bis-octadecyloxy-benzoic acid methyl ester
• 英文别名: Methyl 3,4-dioctadecoxybenzoate；methyl 3,4-dioctadecoxybenzoate
• CAS: 180678-31-3
• 化学式: C₄₄H₈₀O₄
• 分子量: 673.117
• InChiKey: VSYREQLTJRCOKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.6
• 重原子数：
  48
• 可旋转键数：
  38
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4-Bis-octadecyloxy-benzoic acid methyl ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 1.0h， 生成 3,4-di(octadecyloxy)benzyl alcohol
  参考文献：
  名称：

  Hexagonal array formation by intermolecular halogen bonding using a binary blend of linear building blocks: STM study

  摘要：

  一种由线性构建块组成的双组分混合物导致分子间卤素键结合，从而形成六角形阵列。

  DOI：

  10.1039/c9cc00532c
• 作为产物：
  描述：

  3,4-二羟基苯甲酸甲酯 、 硬脂基溴 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3,4-Bis-octadecyloxy-benzoic acid methyl ester
  参考文献：
  名称：

  介晶咪唑盐：用于高效 siRNA 转染的新载体

  摘要：

  1-甲基-3-[3,4-双(烷氧基)苄基]-4H-咪唑鎓的氯化物(1(n))和溴化物(2(n))衍生物的制备，n = 6, 12, 16,描述了图18。这两个系列的盐具有丰富的热致介晶现象，取决于链长。因此，层状近晶 A 相、双连续立方 Ia3d 相和柱状六方液晶中间相作为链长增加的函数被诱导。通过偏光显微镜、差示扫描量热法和 X 射线衍射研究了介晶性质，并在膨胀学和分子动力学的支持下，提出了盐的各种超分子排列的模型。这种阳离子两亲物有望成为设计用于核酸转染的新递送试剂的候选分子，特别是对于短干扰 RNA (siRNA)。通过将化学合成的 siRNA 转染到细胞中，使用 RNA 干扰机制是一种强大的基因沉默研究方法。为了开发这些两亲性咪唑盐的潜力，这些分子与辅助脂质一起配制，并测试了它们传递活性 siRNA 的功效。我们的结果表明，我们配制的化合物具有高转染效率和高沉默效率，在 10 nM

  DOI：

  10.1021/ja903028f

文献信息

• Rodlike metallomesogens containing nickel(<scp>ii</scp>), palladium(<scp>ii</scp>) and copper(<scp>ii</scp>) based on novel enaminoketonato ligands
  作者：Carsten P. Roll、Alexander G. Martin、Helmar Görls、Guido Leibeling、Daniel Guillon、Bertrand Donnio、Wolfgang Weigand

  DOI：10.1039/b316731c

  日期：——

  Several new enaminoketone mesogens were synthesized and coordinated to various metal salts to yield a variety of novel rodlike metal-containing liquid crystals. The mesophases were characterized by polarized optical microscopy (POM), differential scanning calorimetry (DSC) and small-angle X-ray scattering (SAXS). Whereas the free ligands display SmA and nematic mesophases, the NiII and PdII complexes give rise to SmC and nematic phases, and the paramagnetic CuII mesogens to a narrow temperature-range nematic mesophase only. The magnetic behaviour of the latter was studied by means of EPR and magnetic susceptibility (SQUID) measurements.

  合成了几种新的烯胺酮介晶，并与各种金属盐配合，得到了多种新型含金属棒状液晶。通过偏光显微镜（POM）、差示扫描量热法（DSC）和小角X射线散射（SAXS）对介晶相进行了表征。自由配体显示出向列相和近晶A相，而NiII和PdII配合物产生近晶C相和向列相，顺磁性CuII介晶仅在狭窄的温度范围内形成向列相。后者的磁性行为通过电子顺磁共振（EPR）和磁化率（SQUID）测量进行了研究。
• Phasmidic phases in macrocyclic liquid crystals
  作者：Rachel P. Tuffin、Kenneth J. Toyne、John W. Goodby

  DOI：10.1039/jm9960601271

  日期：——

  In this article we describe the synthesis, characterisation and phase behaviour of some phasmidic liquid crystals containing the diaza 18-crown-6 macrocyclic core. Seven compounds were synthesised, five tetracatenar and two hexacatenar. The terminal alkoxy chains were varied in length from ten to eighteen carbon atoms, and the number of phenyl rings in the mesogenic units was set at either two or three. Depending on the nature of the mesogenic moiety, hexagonal columnar phasmidic and smectic phases were found to occur for these systems. The natures and structures of the columnar phases found for these systems are discussed in relation to the conformational structure of the macrocyclic core and to the overall geometry, shape and flexibility of the molecular structures.

  本文描述了含有二氮杂18-冠-6大环核心的某些相容性液晶的合成、表征及其相行为。共合成了七种化合物，其中五种为四连化合物，两种为六连化合物。末端烷氧链的长度从十个碳原子变化到十八个碳原子，介晶单元中苯环的数量设定为两个或三个。根据介晶部分的不同，这些体系中发现了六方柱状和向列相。本文讨论了这些体系中发现的柱状相的性质和结构与大环核心的构象结构、分子整体的几何形状和柔韧性的关系。
• Triketonate difluoroboron complexes. Substitution-dependent liquid crystal and photophysical properties
  作者：Ignacio Sánchez、Adrián Fernández-Lodeiro、Elisabete Oliveira、José Antonio Campo、M. Rosario Torres、Mercedes Cano、Carlos Lodeiro

  DOI：10.1016/j.dyepig.2015.10.029

  日期：2016.12

  Novel alkyloxyphenyl-substituted beta,delta-triketonate difluoroboron complexes have been efficiently synthesised and thoroughly characterised. Significant features such as liquid crystal behaviour and solid and solution fluorescence are observed in all cases. The mesomorphism was determined by the presence of one, two or three alkyl chains in each substituent aromatic group of the triketonate ligand. So, smectic C mesophases were found for compounds carrying two lateral chains, each of thein located at one of each phenyl substituent, while the presence of four or six chains at the whole molecule gave rise to smectic A or discotic lamellar and hexagonal columnar mesophases, respectively. Fluorescence in the solid state and in solution is again proved to be dependent on the ligand substitution as well as to be maintained in the mesophase. These multifunctional materials also present luminescent sensor activity towards Hg2+ and Cu2+. (C) 2015 Elsevier Ltd. All rights reserved.