4,4-dodecyloxybenzoyloxybenzoyl-4-hydroxy-2-hydroxybenzaldehyde | 1262051-13-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4,4-dodecyloxybenzoyloxybenzoyl-4-hydroxy-2-hydroxybenzaldehyde
• 英文别名: 4,4'-dodecyloxybenzoyloxybenzoyl-4-oxy-2-hydroxybenzaldehyde
• CAS: 1262051-13-7
• 化学式: C₃₃H₃₈O₇
• 分子量: 546.661
• InChiKey: HGLCQDMHKVJCEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.94
• 重原子数：
  40.0
• 可旋转键数：
  17.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  99.13
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  N-乙基乙二胺 、 4,4-dodecyloxybenzoyloxybenzoyl-4-hydroxy-2-hydroxybenzaldehyde 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 4,4'-dodecyloxybenzoyloxybenzoyl-4-salicylidene-N'-ethyl-N-ethylenediamine
  参考文献：
  名称：

  基于 4,4'-十二烷氧基苯甲酰氧基苯甲酰基-4-水杨基-N'-乙基-N-乙二胺的铁(III)偶氮甲碱配合物制备中的溶剂效应

  摘要：

  获得了基于正十二烷氧基苯甲酸酯衍生物的单-和双-螯合含铁 (III) 的三齿偶氮甲碱配体与含 NO3- 抗衡离子的 oxybenzoyl-4-slidene-N'-ethyl-N-乙二胺。化合物的结构由红外光谱、元素分析和质谱 (MALDI-ToF MS) 确定。发现铁盐与三齿配体在溶剂混合物（醇：苯）中的络合导致形成组成为 1:2 的双螯合物，配合物中铁的八面体堆积，而在纯醇溶液中，得到不对称的单螯合物。

  DOI：

  10.1134/s0022476612050046
• 作为产物：
  描述：

  对羟基苯甲酸苄酯 在 4-二甲氨基吡啶 、 5% Pd(II)/C(eggshell) 、 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 24.17h， 生成 4,4-dodecyloxybenzoyloxybenzoyl-4-hydroxy-2-hydroxybenzaldehyde
  参考文献：
  名称：

  基于由4,4'-十二烷氧基苯甲酰氧基苯甲酰-4-氧基-2-羟基苯甲醛衍生的甲亚胺的铁（III）络合物

  摘要：

  这与合成和铁的相行为的调查工作交易（III）含从4,4'- dodecyloxybenzoyloxybenzoyl -4-氧基-2-羟基苯甲醛与NO衍生线性甲亚胺配合物- 3，PF - 6，氯- ，和BF - 4抗衡离子。所有半成品和目标物质均通过TLC，元素分析，IR和NMR光谱以及熔点进行表征。已经确定，席夫碱与金属盐在室温下的反应导致形成具有线性结构的络合物。研究了根据抗衡离子的性质获得的化合物的相行为。

  DOI：

  10.1134/s1070363210100130

文献信息

• Synthesis of liquid-crystalline 4,4′-dodecyloxybenzoyloxybenzoyl-4-oxy-2-hydroxybenzaldehyde and related azomethine
  作者：U. V. Chervonova、M. S. Gruzdev、A. M. Kolker

  DOI：10.1134/s1070363211090192

  日期：2011.9

  4,4'-Dodecyloxybenzoyloxybenzoyl-4-hydroxy-2-hydroxybenzaldehyde and the related linear azomethine, the intermediates at the formation of iron(III)-containing complexes, were synthesized. These compounds were characterized by thin layer chromatography, elemental analysis, IR, NMR spectroscopy, mass spectrometry, and by the data of differential scanning calorimetry. The aldehyde and the azomethine show mesomorphic properties. DOI: 10.1134/S1070363211090192
• Conversion of low spin states in a monochelate complex of Fe(III) with an asymmetric tridentate azomethine ligand
  作者：M. S. Gruzdev、N. E. Domracheva、A. I. Aleksandrov、V. P. Osipova、U. V. Chervonova、A. M. Kolker、T. V. Pashkova、D. V. Barakhtenko

  DOI：10.1134/s0022476612060078

  日期：2012.11

  An iron(III)-containing complex with the asymmetric tridentate azomethine ligand 4,4'-dodecyloxybenzoyloxybenzoyl-4-salicylidene-N'-ethyl-N-ethylenediamine with a PF (6) (-) counterion is obtained. The presence of the complexing ion is confirmed by far IR Fourier spectra. The structure of the compounds is determined by matrix-assisted laser desorption/ionization with a time-of-flight mass analyzer (MALDI-ToF). The results of mass spectrometric studies are consistent with the elemental analysis data. It is found that the complexation of iron salt with an asymmetric tridentate ligand results in the formation of compounds of the composition 1:1 with octahedral packing of a metal ion in the complex. The electrochemical behavior of the compound in organic solvents is examined. The EPR study shows that iron(III) ions are in both low spin (LS) and high spin (HS) states in the complex. The LS and HS iron(III) centers are coupled into dimers in which a water molecule and the PF (6) (-) counterion act as bridges. It is also found that for LS complexes in the lowtemperature phase (4.2-300 K), the (d (xz) ,d (yz) )(4)(d (xy) )(1) electronic state is the ground state. It is revealed that the conversion of the sample into a high-temperature liquid crystalline (387-405 K) phase is accompanied by the conversion of the LS states of the Fe(III) ion: (d (xz) ,d (yz) )(4)(d (xy) )(1) a dagger" (d (xy) )(2)(d (xz) ,d (yz) )(3). The conversion of LS states is temperature reversible and is driven by the temperature. X-ray crystallographic data confirm that the compound obtained consists of dimer formed by a hydrogen (O-H...F) bond.