2-Methyl-5-tert.-butyl-hydrochinon | 2349-76-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Methyl-5-tert.-butyl-hydrochinon
• 英文别名: 2-methyl-5-tert-butylhydroquinone；2-tert-butyl-5-methylhydroquinone；2-Tert-butyl-5-methylbenzene-1,4-diol
• CAS: 2349-76-0
• 化学式: C₁₁H₁₆O₂
• 分子量: 180.247
• InChiKey: MPKIZIGHGVKHDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Methyl-5-tert.-butyl-hydrochinon 在 silica gel 、 silver carbonate 作用下， 以 二氯甲烷 为溶剂， 生成 2-tert-butyl-5-methyl-1,4-benzoquinone
  参考文献：
  名称：

  Oxidations with silver carbonate/celite. V. Oxidations of phenols and related compounds

  摘要：

  DOI：

  10.1021/jo00809a004
• 作为产物：
  描述：

  间甲基苯甲醚 在 盐酸 、 三氯化铝 、 硝酸 、 苯 作用下， 生成 2-Methyl-5-tert.-butyl-hydrochinon
  参考文献：
  名称：

  Seide; Dubinin, Zhurnal Obshchei Khimii, 1932, vol. 2, p. 472,475

  摘要：

  DOI：

文献信息

• Role of Noncovalent Sulfur···Oxygen Interactions in Phenoxyl Radical Stabilization: Synthesis of Super Tocopherol-like Antioxidants
  作者：Stefano Menichetti、Riccardo Amorati、Valentina Meoni、Lorenzo Tofani、Gabriella Caminati、Caterina Viglianisi

  DOI：10.1021/acs.orglett.6b02557

  日期：2016.11.4

  Noncovalent sulfur···oxygen interactions can increase the stability of chalcogen ortho-substituted phenoxyl radicals. This effect contributes to transforming the 7-hydroxybenzo[b]thiophene moiety in a privileged structural motif to enhance the activity of phenolic antioxidants. A cascade of five consecutive electrophilic reactions occurring in one pot afforded potent and biocompatible α-tocopherol-like antioxidants

  非共价硫··氧相互作用可以增加硫族元素邻位取代的苯氧基自由基的稳定性。该作用有助于在特权结构基序中转化7-羟基苯并[ b ]噻吩部分，以增强酚类抗氧化剂的活性。在一个锅中发生的五个连续的亲电反应的级联反应提供了有效且生物相容的类α-生育酚类抗氧化剂。
• From simple phenols to potent chain-breaking antioxidants by transposition of benzo[1,4]oxathiines to benzo[b]thiophenes
  作者：Caterina Viglianisi、Leonardo Di Pietro、Valentina Meoni、Riccardo Amorati、Stefano Menichetti

  DOI：10.24820/ark.5550190.p011.037

  日期：——

  Simple phenols, including food stock recycled derivatives, were used for the synthesis of 1,4-benzooxathiine intermediates, with limited or no antioxidant activity. Depending upon their substitution pattern, these compounds, through an acid promoted transposition, can be converted into o-hydroxydihydrobenzo[b]thiophenes or o-hydroxy-benzo[b]thiophenes as a new class of potent chain-breaking antioxidants

  简单的酚类，包括食品原料回收的衍生物，用于合成 1,4-苯并氧杂硫嘌呤中间体，具有有限的抗氧化活性或没有抗氧化活性。根据它们的取代模式，这些化合物可以通过酸促进的转座转化为邻羟基二氢苯并[b]噻吩或邻羟基苯并[b]噻吩作为一类新的强效断链抗氧化剂，在与烷基过氧自由基的反应，动力学速率常数 (kinh) 与 α-生育酚相当，是更有效的天然亲脂性酚类抗氧化剂。
• The synthesis and evaluation of thymoquinone analogues as anti-ovarian cancer and antimalarial agents
  作者：Okiemute Rosa Johnson-Ajinwo、Imran Ullah、Haddijatou Mbye、Alan Richardson、Paul Horrocks、Wen-Wu Li

  DOI：10.1016/j.bmcl.2018.02.051

  日期：2018.4

  sativa L., has previously been demonstrated to exhibit antiproliferative activity in vitro against a range of cancers as well as the human malarial parasite Plasmodium falciparum. We describe here the synthesis of a series of analogues of TQ that explore the potential for nitrogen-substitution to this scaffold, or reduction to a hydroquinone scaffold, in increasing the potency of this antiproliferative activity

  百里香酚（TQ），2-异丙基-5-甲基-1,4-苯醌是一种从Nigella sativa L.分离得到的天然产物，以前已被证明在体外对多种癌症和人类疟疾具有抗增殖活性。寄生虫恶性疟原虫。我们在这里描述了一系列TQ的类似物的合成，这些类似物探索了氮取代该支架或还原为对苯二酚支架的潜力，从而增加了这种抗增殖活性对卵巢癌细胞系和恶性疟原虫的效力。。另外，烷基或卤素取代的类似物是商业来源的，并进行平行测试。发现了几种具有改善的抗卵巢癌细胞和恶性疟原虫效力的TQ类似物，尽管这种增加被认为是中等程度的。强调了可以进一步探讨的结构活动关系的关键方面。
• HETEROCYCLIC COMPOUND AND ELECTRONIC APPARATUS
  申请人：Samsung Display Co., Ltd.

  公开号：US20190229290A1

  公开（公告）日：2019-07-25

  Provided are a heterocyclic compound and an electronic apparatus. The electronic apparatus includes: a substrate; an organic light-emitting device on the substrate; and a thin film encapsulation portion sealing the organic light-emitting device, the thin film encapsulation portion including an ultraviolet (UV) stabilizing mixture, and the UV stabilizing mixture including a UV absorbent and a radical scavenger.

  提供的是一种杂环化合物和一种电子设备。该电子设备包括：基板；设置在基板上的有机发光器件；以及用于封装有机发光器件的薄膜封装部分，薄膜封装部分包括紫外（UV）稳定混合物，该UV稳定混合物包括UV吸收剂和自由基清除剂。
• Method of reactive extrusion copolymerization of vinyl monomers
  申请人：EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY

  公开号：US10689469B2

  公开（公告）日：2020-06-23

  A method of reactive extrusion copolymerization of vinyl monomer consisting of (1) feeding vinyl monomer or at least one vinyl monomer together with an initiator into the first screw of twin-screw extruder, and modified resin into the subsequent screw section; (2) feeding the above monomer into the screw segment after auto-acceleration zone and feeding the initiator corresponding to the temperature of barrel and micro/nano inorganic modified fillers after the half-life period of the initiator; (3) feeding the antioxidant and anti-UV agent at the end of the polymerization, and then removing unpolymerized monomer and by-products by devolatilization of screw segment; (4) obtaining vinyl copolymer resin with a anticipated molecular weight of 5×102 to 6×105 from the reactive extrusion polymerization by controlling the temperature of different screw segments. The invention which overcomes the existing defects of the free radical polymerization by reactive extrusion technology, can not only meet the requirement of short stay time of reactive extrusion polymerization, combine the functionalization and high performance, but also make it possible to obtain high molecular weight polymers.

  一种乙烯基单体反应性挤出共聚方法，包括：(1)将乙烯基单体或至少一种乙烯基单体与引发剂一起加入双螺杆挤出机的第一螺杆，改性树脂加入后续螺杆段；(2)将上述单体加入自动加速区后的螺杆段，加入与机筒温度相应的引发剂，并在引发剂半衰期后加入微/纳米无机改性填料；(3) 在聚合结束时加入抗氧剂和抗紫外线剂，然后通过螺杆段的脱溶剂去除未聚合的单体和副产物； (4) 通过控制不同螺杆段的温度，从反应挤出聚合中获得预期分子量为 5×102 至 6×105 的乙烯基共聚树脂。本发明克服了现有反应挤出自由基聚合技术的缺陷，不仅能满足反应挤出聚合停留时间短、功能化与高性能相结合的要求，而且使获得高分子量聚合物成为可能。