3,4,5-trihexadecyloxyacetophenone | 219993-04-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,4,5-trihexadecyloxyacetophenone
• 英文别名: 1-(3,4,5-trihexadecoxyphenyl)ethanone
• CAS: 219993-04-1
• 化学式: C₅₆H₁₀₄O₄
• 分子量: 841.439
• InChiKey: AYKBCUMAWSQIDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.47
• 重原子数：
  60.0
• 可旋转键数：
  49.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  3,4,5-trihexadecyloxyacetophenone 以 丙酮 为溶剂， 反应 3.0h， 生成 tert-butyl ((S)-6-(((S)-1-(((S)-1-amino-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-5-(hept-6-ynamido)-6-oxohexyl)carbamate
  参考文献：
  名称：

  Mesomorphic behaviour of N-benzoyl-N′-aryl thioureas liquid crystalline compounds

  摘要：

  A series of N-benzoyl-N'-aryl thiourea derivatives bearing alkoxy groups in terminal positions have been prepared and investigated for their potential liquid crystals properties. It was found that only the compounds which have only two alkoxy chains show calamitic mesomorphic behaviour, with nematic, smectic A and C phases being displayed. The type and stability of these mesophases are greatly influenced by the alkyl chain length. Successive introduction of additional alkoxy groups on the benzoyl moiety led to a significant decrease of the clearing points and suppression of the mesogenic character. Using of branched alkyl chain, 2-ethyl-hexyl, instead of normal alkyl group, led to the disappearance of mesogenic behaviour together with the lowering of the clearing temperature. The influence of chain length and number of chains is discussed. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2010.11.037
• 作为产物：
  描述：

  没食子酸乙酯 在 potassium iodide 氢氧化钾 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 、 丙酮 为溶剂， 反应 96.0h， 生成 3,4,5-trihexadecyloxyacetophenone
  参考文献：
  名称：

  Lai, Chung K.; Lin, Fun-Jane, Journal of the Chemical Society, Dalton Transactions, 1997, # 1, p. 17 - 20

  摘要：

  DOI：

文献信息

• Preparation, characterization and mesomorphic properties of nickel and copper complexes derived from N,N′-bis[3-(3′,4′-dialkoxyphenyl)-3-oxopropenyl]ethylenediamine
  作者：Chung K. Lai、Yung-Shyen Pang、Chun-Hsien Tsai

  DOI：10.1039/a803603i

  日期：——

  The preparation, characterization and mesomorphic properties of copper and nickel complexes derived from N,N′-bis[3-(3′,4′-dialkoxyphenyl)-3-oxopropenyl]ethylenediamine are reported. Liquid crystalline behavior for these structurally similar complexes was found to be strongly dependent both on the number of sidechains and metal centers incorporated. Nickel complexes with four or six alkoxy sidechains exhibited columnar phases. However, nickel complexes with two alkoxy sidechains and all copper complexes regardless the numbers of the sidechains were not liquid crystalline. The structure of the mesophases was confirmed as columnar hexagonal (Col h ) by powder XRD diffraction. The data that the copper complexes have slightly lower isotropic temperatures than the analogous nickel complexes suggested that the lack of liquid crystallinity for the copper complexes may be attributed to weaker molecular interactions. The results also indicated that nickel complexes with four sidechains showed a wider range of mesophase temperature than complexes with six sidechains.

  报告介绍了由 N,Nâ²-双[3-(3â²,4â²-二烷氧基苯基)-3-氧代丙烯基]乙二胺衍生的铜和镍络合物的制备、表征和介形特性。研究发现，这些结构相似的络合物的液晶行为与侧链和金属中心的数量密切相关。含有四个或六个烷氧基侧链的镍络合物呈现柱状相。然而，含有两条烷氧基侧链的镍络合物和所有铜络合物（无论侧链数量多少）都不呈液晶状。通过粉末 XRD 衍射，确认了中间相的结构为柱状六边形（Col h）。铜络合物的各向同性温度略低于类似的镍络合物，这一数据表明，铜络合物缺乏液晶性可能是由于分子间的相互作用较弱。结果还表明，具有四个侧链的镍络合物比具有六个侧链的络合物显示出更宽的介相温度范围。