(2,4'-二羟基-3,3'-二甲氧基-5-甲基)二苯基甲烷 | 38768-70-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (2,4'-二羟基-3,3'-二甲氧基-5-甲基)二苯基甲烷
• 英文名称: (2,4'-dihydroxy-3,3'-dimethoxy-5-methyl)diphenylmethane
• 英文别名: 2-(4-Hydroxy-3-methoxybenzyl)-6-methoxy-4-methylphenol；2,4-dihydroxy-3,3-dimethoxy-5-methyldiphenylmetane；2-[(4-Hydroxy-3-methoxyphenyl)methyl]-6-methoxy-4-methylphenol
• CAS: 38768-70-6
• 化学式: C₁₆H₁₈O₄
• 分子量: 274.317
• InChiKey: VZUIOBJCDKJKLV-UHFFFAOYSA-N

物化性质

• 熔点：
  108-109 °C
• 沸点：
  440.2±40.0 °C(Predicted)
• 密度：
  1.192±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-氯-4,4,5,5-四甲基-1,3,2-二氧磷杂环戊烷 、 (2,4'-二羟基-3,3'-二甲氧基-5-甲基)二苯基甲烷 在 吡啶 作用下， 以 氘代氯仿 为溶剂， 生成
  参考文献：
  名称：

  31P NMR化学位移与酚类取代基效应的相关分析

  摘要：

  超过 60 种木质素相关模型化合物用 2-氯-4,4,5,5-四甲基二氧杂磷杂环戊烷（早期工作中使用的 2-氯-1,3,2-二氧杂环磷烷的空间位阻类似物）及其 31P 化学位移进行亚磷酸化被记录下来。获得了亚磷酸化羧酸、酚类和脂肪醇的化学位移之间的出色分辨率。使用哈米特原理，磷化学位移与木质素相关酚类化学环境的相关性提供了共振取代基常数σ RO 与对位取代木质素相关酚类的相应 31 P NMR 化学位移值之间的极好的线性关系. 此外，获得了邻位和对位取代的亚磷酸化酚的 31P NMR 化学位移之间的相关性。

  DOI：

  10.1002/mrc.1260330509
• 作为产物：
  描述：

  4-羟基-3-甲氧基苄醇 在 氢氧化钾 、 钾硼氢 作用下， 以 溶剂黄146 为溶剂， 生成 (2,4'-二羟基-3,3'-二甲氧基-5-甲基)二苯基甲烷
  参考文献：
  名称：

  Pavlickova,L. et al., Collection of Czechoslovak Chemical Communications, 1976, vol. 41, p. 299 - 310

  摘要：

  DOI：

文献信息

• The effect of metal ions on the reaction of hydrogen peroxide with Kraft lignin model compounds
  作者：Yujun Sun、Michael Fenster、Annie Yu、Richard M Berry、Dimitris S Argyropoulos

  DOI：10.1139/v99-036

  日期：1999.6.1

  Peroxide bleaching is significantly affected by transition and alkaline earth metals. Isolating the effects of different transition and alkaline earth metals on the reactions of peroxide with different representative lignin structures allows the separation of the positive from the negative contributions of these metal ions. In this work, five monomeric or dimeric phenolic lignin model compounds were treated with alkaline hydrogen peroxide in the absence or presence of Mn²⁺, Cu²⁺, Fe³⁺, and Mg²⁺. We followed the disappearance of the starting material and the progress of demethylation, radical coupling and oxalic acid formation were followed. Transition metals increased the reactivities of all the lignin model compounds with hydrogen peroxide in the order Mn²⁺ > Cu²⁺ > Fe³⁺, which is the same as the order of activity toward peroxide decomposition while Mg²⁺ stabilized the system. Demethylation, radical coupling, and oxalic acid formation were all increased by the presence of transition metals in the system and decreased by the addition of Mg²⁺. The acceleration of the total degree of reaction and of the demethoxylation reactions improves peroxide bleaching, but the increase in the radical coupling reactions can affect the further bleachability of pulp while the increase in the formation of oxalic acid could lead to a greater probability of scaling.Key words: lignins, hydrogen peroxide, peroxide bleaching, reactivity, chemical pulps, metal compounds, alkali treatment, transition metals, delignification.

  过氧化物漂白受过渡金属和碱土金属的显着影响。隔离不同过渡金属和碱土金属对过氧化物与不同典型木质素结构反应的影响，可以将这些金属离子的正面和负面贡献分开。在这项工作中，五种单体或二聚酚酚木质素模型化合物在缺乏或存在Mn²⁺、Cu²⁺、Fe³⁺和Mg²⁺的碱性过氧化氢中处理。我们跟踪了起始物质的消失以及去甲基化、自由基偶联和草酸形成的进展。过渡金属按Mn²⁺ > Cu²⁺ > Fe³⁺的顺序增加了所有木质素模型化合物与过氧化氢的反应性，这与对过氧化物分解活性的顺序相同，而Mg²⁺稳定了系统。过渡金属的存在增加了体系中所有木质素模型化合物的去甲基化、自由基偶联和草酸形成，并且Mg²⁺的加入则减少了这些反应。总反应程度和去甲氧基化反应的加速改善了过氧化物漂白，但自由基偶联反应的增加可能会影响纸浆的进一步漂白性，而草酸形成的增加可能会导致更大的结垢概率。关键词：木质素、过氧化氢、过氧化物漂白、反应性、化学纸浆、金属化合物、碱处理、过渡金属、脱木质素。
• The early oxidative biodegradation steps of residual kraft lignin models with laccase
  作者：Claudia Crestini、Dimitris S. Argyropoulos

  DOI：10.1016/s0968-0896(98)00173-4

  日期：1998.11

  A number of model compounds resembling the fundamental bonding patterns of residual kraft lignin, including a series of stilbenes, were incubated with laccase from Trametes versicolor in the presence and absence of delignification 'mediators' ABTS and HBT. The condensed kraft lignin model compounds seem to undergo initial degradation by laccase mainly via benzylic oxidation, demethylation and hydroxylation reactions. Phenolic 5-5', diphenylmethane and alpha-5 lignin models were found to be degraded mainly via side-chain oxidation reactions. Among the models studied, a phenolic stilbene was found to be the most reactive, yielding several products showing side-chain oxidation/transposition, demethoxylation and hydroxylation reactions. Non-phenolic 5-5', diphenylmethane and stilbene model compounds were found unreactive even in the presence of the laccase-mediator system. (C) 1998 Elsevier Science Ltd. All rights reserved.
• The reactivity of phenolic and non-phenolic residual kraft lignin model compounds with Mn(II)-peroxidase from Lentinula edodes
  作者：Claudia Crestini、Alessandro D'Annibale、Giovanni Giovannozzi Sermanni、Raffaele Saladino

  DOI：10.1016/s0968-0896(99)00303-x

  日期：2000.2

  Three phenolic model compounds representing bonding patterns of residual kraft lignin were incubated with manganese peroxidase from Lentinula edodes. Extensive degradation of all the phenolic models, mainly occurring via side-chain benzylic oxidation, was observed. Among the tested model compounds the diphenylmethane alpha-5 phenolic model was found to be the most reactive, yielding several products showing oxidation and fragmentation at the bridging position. The non-phenolic 5-5' biphenyl and 5-5' diphenylmethane models were found unreactive. (C) 2000 Elsevier Science Ltd. All rights reserved.
• PROCEDE DE PURIFICATION DE LA VANILLINE PAR EXTRACTION LIQUIDE-LIQUIDE
  申请人：Rhodia Operations

  公开号：EP2791098B1

  公开（公告）日：2017-04-19
• Method for purifying vanillin by liquid-liquid extraction
  申请人：RHODIA OPERATIONS

  公开号：US20140316165A1

  公开（公告）日：2014-10-23

  A method is described for purifying vanillin, and derivatives thereof, from an initial solution of vanillin or of a vanillin derivative in a solvent S1 containing impurities, comprising the following steps: a) a step of evaporating the solvent S1 in the presence of water from such initial solution to obtain an aqueous solution of vanillin or of a vanillin derivative; b) a step of liquid/liquid extraction by bringing the aqueous solution obtained at the end of step a) into contact with a solvent S2, at a pH of greater than 8 and less than 10, to obtain an organic phase and an aqueous phase containing vanillin or a vanillin derivative and residual solvent S2; c) a step of precipitating, at a pH between 4 and 7.5, the vanillin contained in the aqueous phase obtained at the end of step b); and d) a step of isolating the vanillin or derivative thereof.