1,2-二甲氧基-4,5-二甲基苯 | 1128-57-0

• 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: 1,2-二甲氧基-4,5-二甲基苯
• 中文别名: 苯,1,2-二甲氧基-4,5-二甲基-
• 英文名称: 1,2-dimethoxy-4,5-dimethylbenzene
• CAS: 1128-57-0
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: VCFFLBDRLPCAPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,2-二甲氧基-4,5-二甲基苯 在 硫酸 、 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 15.0h， 生成 3,6-Bis-chloromethyl-4,5-dimethyl-benzene-1,2-diol
  参考文献：
  名称：

  A facile synthesis of functionalized catechols

  摘要：

  A general route to functionalized catechols is achieved by the reaction of 3,6-di(chloromethyl)-4,5-dimethyl-catechol with various nucleophiles in the presence of a base. The reactions are proposed to occur by way of a dehydrochlorinated intermediate which undergoes Michael additions to give the catechol products. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00793-x
• 作为产物：
  描述：

  3,4-二甲氧基甲苯 在 lithium aluminium tetrahydride 、 溶剂黄146 作用下， 生成 1,2-二甲氧基-4,5-二甲基苯
  参考文献：
  名称：

  A facile synthesis of functionalized catechols

  摘要：

  A general route to functionalized catechols is achieved by the reaction of 3,6-di(chloromethyl)-4,5-dimethyl-catechol with various nucleophiles in the presence of a base. The reactions are proposed to occur by way of a dehydrochlorinated intermediate which undergoes Michael additions to give the catechol products. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00793-x

文献信息

• OPIOID RECEPTOR MODULATORS AND USE THEREOF
  申请人：National Health Research Institutes

  公开号：US20170056377A1

  公开（公告）日：2017-03-02

  Disclosed is an in vitro screening method for identifying an antagonist-to-agonist allosteric modifier of a mu-opioid receptor and an in vivo method for confirming that a test compound is such a modifier of a mu-opioid receptor. Also disclosed is a method for treating an opioid receptor-associated condition using a compound of Formula (I) and a pharmaceutical composition containing the same.

  揭示了一种体外筛选方法，用于识别μ-阿片受体的拮抗剂-激动剂异位调节剂，并揭示了一种体内方法，用于确认测试化合物是否为μ-阿片受体的这种调节剂。还揭示了一种使用式（I）化合物和含有该化合物的药物组合物治疗阿片受体相关疾病的方法。
• Regiospecific attack of nitrogen and sulfur nucleophiles on quinones derived from poison oak/ivy catechols (urushiols) and analogs as models for urushiol-protein conjugate formation
  作者：Daniel J. Liberato、Vera S. Byers、Reg G. Dennick、Neal Castagnoli

  DOI：10.1021/jm00133a007

  日期：1981.1

  Attempts to characterize potential biologically important covalent interactions between electrophilic quinones derived from catechols present in poison oak/ivy (urushiol) and biomacromolecules have led to the analysis of model reactions involving sulfur and amino nucleophiles with 3-heptadecylbenzoquinone. Characterization of the reaction products indicates that this quinone undergoes regiospecific

  试图表征毒橡树/常春藤（urushiol）中存在的儿茶酚衍生的亲电子醌与生物大分子之间潜在的生物学上重要的共价相互作用，已导致对涉及硫和氨基亲核试剂与3-十七烷基苯醌的模型反应进行了分析。反应产物的表征表明该醌在C-6受到（S）-N-乙酰半胱氨酸和在C-5受到1-氨基戊烷的区域特异性攻击。用1-氨基戊烷获得的红色固体证明是3-十七烷基-5-（戊基氨基）-1，2-苯并醌。用衍生自3-十五烷基邻苯二酚的4-和6-甲基类似物的醌获得类似的氨基苯醌。这三种加合物均吸收不同波长的可见光。当起始儿茶酚与人血清白蛋白一起孵育时，几乎形成了相同的生色团。这些结果表明，在人血清白蛋白的存在下，负责在人体内产生毒橡树/常春藤接触性皮炎的邻苯二酚会发生一系列反应，从而导致邻苯二酚通过碳氮键与蛋白质共价连接。对该结合程度的估计表明，至少对于人血清白蛋白，该反应是定量的。
• 4-methylcatechol Derivatives and Uses Thereof
  申请人：THANARES GMBH

  公开号：US20160347782A1

  公开（公告）日：2016-12-01

  The invention relates to phenoxy derivatives with glycosidically bound sugar moieties, pharmaceutical compositions containing such compounds, uses of such compounds and compositions, and methods of making such compounds and pharmaceutical compositions.

  这项发明涉及具有糖苷键结合的苯氧基衍生物，包含这些化合物的药物组合物，这些化合物和组合物的用途，以及制备这些化合物和药物组合物的方法。
• Lipogenesis inhibition by certain esters of substituted
  申请人：Shell Oil Company

  公开号：US04208424A1

  公开（公告）日：1980-06-17

  Use as lipogenesis inhibitors in mammals of alkyl esters of certain substituted 2,3-dihydro-1,4-benzodioxincarboxylic acids.

  使用某些取代的2,3-二氢-1,4-苯并二氧环羧酸的烷基酯作为哺乳动物的脂肪生成抑制剂。
• Production of angular alkylated polycyclides by electrochemical
  申请人：The United States of America as represented by the Secretary of Health,

  公开号：US03950236A1

  公开（公告）日：1976-04-13

  A process of producing angular alicylated polycyclides by electrochemical annelation wherein a biphenyl compound containing an alkyl group is oxidized at the anode in an electrolyte to form the corresponding dieone.

  一种通过电化学环化生产角状取代的多环芳香族化合物的方法，其中含有烷基的联苯化合物在电解质中在阳极处被氧化形成相应的二酮。