3,4,5-tris(3,7-dimethyloctyloxy)benzaldehyde | 757240-41-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,4,5-tris(3,7-dimethyloctyloxy)benzaldehyde
• 英文别名: 3,4,5-tris(3,7-dimethyloctoxy)benzaldehyde
• CAS: 757240-41-8
• 化学式: C₃₇H₆₆O₄
• 分子量: 574.929
• InChiKey: NXUXPAYRRMAUJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.19
• 重原子数：
  41.0
• 可旋转键数：
  25.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2,4,6-三甲基-1,3,5-三嗪 、 3,4,5-tris(3,7-dimethyloctyloxy)benzaldehyde 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以85%的产率得到2,4,6-tris{(E)-2-[3,4,5-tris(3,7-dimethyloctyl)phenyl]ethenyl}-1,3,5-triazine
  参考文献：
  名称：

  Liquid crystals in the series of 2,4,6-tristyryl-1,3,5-triazines

  摘要：

  Alkaline condensation reactions of 2,4,6-trimethyl-1,3,5-triazine (1) and substituted benzaldehydes (2a-n) yield 2,4,6-tristyryl-1,3,5-triazines (3a-n). A sufficient number and length of the alkoxy chains at the benzene rings provide liquid crystalline phases Col(hd). A special structure was found for compound 3i with 9 hexyloxy chains; it exists in the solid state in a helical columnar arrangement, which is transformed by heating to a hexagonal columnar mesophase. Irradiation of the mesophases of 3i-3m leads to partial cyclodimerization reactions, which cause different textures and lower the clearing points. The border line between the irradiated and the unirradiated zones is preserved in the solid and the liquid crystalline temperature range but also over a surprisingly long period in the molten state. A detailed study of this imaging technique was performed for the LC phase of 3i. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.06.031
• 作为产物：
  描述：

  1-溴-3,7-二甲基辛烷 在 lithium aluminium tetrahydride 、 potassium carbonate 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 30.0h， 生成 3,4,5-tris(3,7-dimethyloctyloxy)benzaldehyde
  参考文献：
  名称：

  由三（N-水杨基苯胺基苯胺）和二苯乙烯结合物衍生的光致发光盘状液晶：结构-性质的相关性

  摘要：

  合成了基于带有反式二苯乙烯荧光团的三（N-水杨基苯胺）[TSANs]的发光盘状液晶。研究了它们的介晶和光物理性质。这些TSAN以C 3h和C s的形式存在酮-烯胺互变异构体的几何异构体自组装形成柱状相，并在溶液和中间相状态下均显示荧光。这些柱状中间相还表现出冻结的（玻璃态）柱状相，可确保保留荧光强度，无缺陷排列并同时限制离子杂质的运动。这些特征使其成为有机发光二极管中的有希望的候选者，特别是用作发光层。与早先报道的类似柱状液晶TSAN相比，该研究还导致了对它们的同晶型（中间相类型，稳定性和热范围）和光物理特征对其外围取代的数量和模式的依赖性的理解。

  DOI：

  10.1016/j.dyepig.2016.05.010

文献信息

• Technologically promising, room temperature luminescent columnar liquid crystals derived from s-triazine core: molecular design, synthesis and characterization
  作者：Hashambi K. Dambal、C.V. Yelamaggad

  DOI：10.1016/j.tetlet.2011.11.010

  日期：2012.1

  Three fold Horner-Wadsworth-Emmons (HWS) reaction of triphosphonate with achiral/chiral 3,4,5-tris(alkoxy)benzaldehydes yield novel achiral/chiral star-shaped liquid crystals (LCs), in which three fluorophore arms such as 1,2,3-tris(alkoxy)-5-styrylbenzenes are tethered to a central s-triazine core. These LCs, the first of their kind, display a columnar liquid crystalline phase over a wide temperature range existing between well below and above the room temperature, which is evidenced by optical and calorimetric studies. Besides, they show photoluminescence both in solution and mesomorphic states. Thus, given their self-organization into fluid one-dimensional columnar array coupled with light generating capability, these organic ordered-fluids can be regarded as novel media for advanced technological applications. (C) 2011 Elsevier Ltd. All rights reserved.