2-羟基-3-甲氧基-5-甲基苯甲醛 | 7452-10-0

• 物质功能分类: 有机原料 - 醛类化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-羟基-3-甲氧基-5-甲基苯甲醛
• 英文名称: 2-hydroxy-3-methoxy-5-methylbenzaldehyde
• 英文别名: 6-formyl-2-methoxy-4-methylphenol；6-Hydroxy-5-methoxy-3-methyl-benzaldehyd
• CAS: 7452-10-0
• 化学式: C₉H₁₀O₃
• 分子量: 166.177
• InChiKey: NDGVJTXAOLGFKK-UHFFFAOYSA-N

物化性质

• 熔点：
  77 °C
• 沸点：
  258.0±35.0 °C(Predicted)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2912499000
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C，惰性气体

反应信息

• 作为反应物：
  描述：

  2-羟基-3-甲氧基-5-甲基苯甲醛 在 sodium hydroxide 、 potassium permanganate 、 水 作用下， 生成 2,3-二甲氧基-5-甲基苯甲酸
  参考文献：
  名称：

  Manske; Ledingham, Canadian Journal of Research, Section B: Chemical Sciences, 1944, vol. 22, p. 115,123

  摘要：

  DOI：
• 作为产物：
  描述：

  5-(Chlormethyl)-o-vanillin 在 tin(ll) chloride 作用下， 以 1,4-二氧六环 为溶剂， 生成 2-羟基-3-甲氧基-5-甲基苯甲醛
  参考文献：
  名称：

  Sinhababu, Achintya K.; Borchardt, Ronald T., Synthetic Communications, 1983, vol. 13, # 8, p. 677 - 684

  摘要：

  DOI：

文献信息

• [EN] MALE CONTRACEPTIVE COMPOSITIONS AND METHODS OF USE<br/>[FR] COMPOSITIONS CONTRACEPTIVES POUR LES HOMMES ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2011143657A1

  公开（公告）日：2011-11-17

  The invention relates to compositions and methods for effecting male contraception.

  这项发明涉及用于实现男性避孕的组合物和方法。
• [EN] USE OF BENZOXABOROLE AS FUNGICIDES<br/>[FR] UTILISATION DE BENZOXABOROLE EN TANT QUE FONGICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2017216191A1

  公开（公告）日：2017-12-21

  A method for controlling or preventing infestation of plants or plant propagation material and/or harvested food crops susceptible to microbial attack by treating plants or plant propagation material and/or harvested food crops a fungicidally effective amount of a compound of formula (I) wherein the substituents are as defined in claim 1 as well as compounds according to formula (IA) and (IB) with the same structure as the compounds of formula (I) wherein the substituents are as defined in claim 15 and 16.

  一种控制或预防植物或植物繁殖材料以及易受微生物侵害的收获食物作物的方法，通过向植物或植物繁殖材料以及收获食物作物中施加具有杀菌作用的化合物的有效量，所述化合物的化学式为(I)，其中取代基如权利要求1所定义，以及根据化学式(IA)和(IB)的化合物，其结构与化合物的化学式(I)相同，其中取代基如权利要求15和16所定义。
• New copper-mediated O-arylations of phenols with arylstannanes
  作者：Alexandros Vakalopoulos、Xanthoula Kavazoudi、Joachim Schoof

  DOI：10.1016/j.tetlet.2006.09.095

  日期：2006.11

  A novel method for the synthesis of diaryl ethers with phenols and arylstannanes under mild conditions is described. This copper-mediated O-arylation is feasible using DMAP in acetonitrile and is complementary to the use of boronic acids as aryl donors. The reaction is tolerant of a wide range of substituents and sterically hindered coupling partners.

  描述了一种在温和条件下用苯酚和芳基锡烷合成二芳基醚的新方法。这种铜介导的O-芳基化在乙腈中使用DMAP是可行的，并且与使用硼酸作为芳基供体是互补的。该反应可耐受各种取代基和位阻偶合体。
• Synthesis and pharmacological evaluation of childinin E and several derivatives as anti-hyphal formation inhibitors against Candida albicans
  作者：Hitoshi Kamauchi、Momoka Hirata、Koichi Takao、Yoshiaki Sugita

  DOI：10.1016/j.tetlet.2020.152588

  日期：2020.12

  natural highly substituted benzophenone childinin E (1) was previously isolated from the fungus Daldinia childiae. Here we describe the total synthesis of childinin E and several derivatives using a linear seven-step sequence. The antifungal properties of the synthesized compounds against Candida albicans were evaluated by an anti-hyphal formation test. Childnin E and two derivatives exhibited anti-hyphal

  天然高取代二苯甲酮childinin E（1）是先前从真菌Daldinia childiae中分离出来的。在这里，我们使用线性七步序列描述了childinin E和几种衍生物的总合成。对所合成的化合物的抗真菌性质白色念珠菌通过评价抗-hyphal形成试验。Childnin E和两种衍生物具有抗菌丝形成的活性。
• 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。