2,6-diiodo-4-methylanisole | 51699-90-2

• 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: 2,6-diiodo-4-methylanisole
• 英文别名: 1,3-diiodo-2-methoxy-5-methylbenzene
• CAS: 51699-90-2
• 化学式: C₈H₈I₂O
• 分子量: 373.96
• InChiKey: UMNJQSHJWNGCRY-UHFFFAOYSA-N

物化性质

• 熔点：
  25 °C
• 沸点：
  106-108 °C(Press: 10-15 Torr)
• 密度：
  2.150±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,6-diiodo-4-methylanisole 在 palladium on activated charcoal 、 四(三苯基膦)钯 盐酸 、 正丁基锂 、 硼酸三甲酯 、 氢气 、 仲丁基锂 、 硝酸 、 sodium carbonate 、 potassium carbonate 作用下， 以 乙醚 、 氯仿 、 溶剂黄146 、 乙酸乙酯 、 丙酮 为溶剂， -78.0~25.0 ℃ 、303.98 kPa 条件下， 反应 87.55h， 生成 2,2',2''-Trimethoxy-5,5''-dimethyl-5'-nitro-[1,1';3',1'']terphenyl-3,3''-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  主客复合。50. 钾钠离子选择性显色离子载体

  摘要：

  我们设计了两种钾离子和一种钠离子选择性显色离子载体，可用于体液和其他体液的比色分析。描述了实际合成，并报告了在优化光谱差异的 pH 值下存在和不存在 Na + 和 K + 离子时的紫外-可见光谱变化

  DOI：

  10.1021/ja00198a053
• 作为产物：
  描述：

  对甲苯甲醚 在 碘 、 [双(三氟乙酰氧基)碘]苯 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以81%的产率得到2,6-diiodo-4-methylanisole
  参考文献：
  名称：

  Simple method for the introduction of iodo-label on (3-trifluoromethyl) phenyldiazirine for photoaffinity labeling

  摘要：

  A simple and mild method was developed for the introduction of iodo-label on (3-trifluoromethyl) phenyidiazirine (TPD) aromatic ring in the presence of three membered diazirine ring. An iodination protocol, I-2-BTI in CH3CN, was found to be effective even though affinity ligands are pre-installed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.03.068

文献信息

• Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds
  申请人：Miki Kazuki

  公开号：US20080305169A1

  公开（公告）日：2008-12-11

  [Problems] The present invention provides pharmaceutical composition which is effective for the prophylaxis or treatment of pathology showing involvement of uric acid (hyperuricemia, gouty tophus, acute gout arthritis, chronic gout arthritis, gouty kidney, urolithiasis, renal function disorder, coronary arterial disease, ischemic heart disease and the like) and the like, and is superior in the time-course stability and dissolution property (disintegration property). [Solving Means] The pharmaceutical composition of the present invention is a pharmaceutical composition comprising a nitrogen-containing fused ring compound represented by the following formula [1] or a pharmaceutically acceptable salt thereof, and one or more pharmaceutically acceptable additives, wherein the nitrogen-containing fused ring compound or a pharmaceutically acceptable salt thereof is not in contact with a basic additive: wherein each symbol is as described in the specification.

  本发明提供了一种药物组合物，用于预防或治疗涉及尿酸的病理（高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等），并且在时间稳定性和溶解性（分解性）方面具有优越性。 【解决手段】本发明的药物组合物是一种药物组合物，包括下式【1】所表示的含氮融合环化合物或其药学上可接受的盐，以及一种或多种药学上可接受的添加剂，其中所述的含氮融合环化合物或其药学上可接受的盐与碱性添加剂不接触： 其中每个符号如说明书中所述。
• Production Method of Nitrogen-Containing Fused Ring Compounds
  申请人：Hirata Kazuyuki

  公开号：US20080064871A1

  公开（公告）日：2008-03-13

  [Problems] The present invention provides a superior production method and a superior purification method of compounds effective for the treatment or prophylaxis of pathology showing involvement of uric acid, such as hyperuricemia, gouty tophus, acute gouty arthritis, chronic gouty arthritis, gouty kidney, urolithiasis, renal function disorder, coronary artery disease, ischemic heart disease and the like. [Means] A compound represented by the following formula [2] or a pharmaceutically acceptable salt thereof can be produced by reacting a compound represented by the following formula [3] or a salt thereof with a compound represented by the following formula [4], a salt thereof or a reactive derivative thereof. Moreover, crystallization of a compound represented by the formula [2] can be performed with industrially superior workability, and high quality crystals of a compound represented by the formula [2] can be obtained. wherein each symbol is as defined in the description.

  本发明提供了一种优越的化合物生产方法和优越的纯化方法，用于治疗或预防涉及尿酸的病理学，如高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等。 [手段] 通过将以下式[3]所代表的化合物或其盐与以下式[4]所代表的化合物、其盐或其反应衍生物反应，可以制备以下式[2]所代表的化合物或其药用可接受的盐。此外，可以以工业上优越的可操作性进行以下式[2]所代表的化合物的结晶，并且可以获得以下式[2]所代表的化合物的高质量晶体。 其中每个符号如描述中所定义。
• Rational Synthesis for All<i>All</i>-Homocalixarenes
  作者：Alexander V. Predeus、Vijay Gopalsamuthiram、Richard J. Staples、William D. Wulff

  DOI：10.1002/anie.201206785

  日期：2013.1.14

  Have it all: The synthesis of homocalixarenes of all sizes has been demonstrated using the triple annulation of bis(carbene) complexes with diynes (see scheme). This strategy in principle should allow access to all homocalixarenes. The generality of the synthetic approach is also demonstrated by the preparation of a pyrrole‐containing calixarene.

  拥有全部：使用双（卡宾）配合物与二炔的三重环合法，已证明了各种规模的高杯芳烃的合成（参见方案）。原则上，该策略应允许使用所有同型芳烃。制备含吡咯的杯芳烃也证明了这种合成方法的普遍性。
• Polynuclear Cu₄L₄ Copper(II) Aminyl Radical Coordination Complexes
  作者：Nico M. Bonanno、Alan J. Lough、Martin T. Lemaire

  DOI：10.1021/acs.inorgchem.8b00785

  日期：2018.5.7

  properties of two polynuclear copper(II) complexes containing a redox-active ligand. These neutral complexes each bear the formula RL4Cu4 (R = tBu, Me) with the ligand in a dianion-aminyl radical oxidation state. X-ray data and density functional theory calculations support an aminyl-type radical character in these complexes, making these the first polynuclear metal aminyl radical complexes.

  我们描述了两个含有氧化还原活性配体的多核铜（II）配合物的结构特征和磁性。这些中性络合物各自具有式RL 4 Cu 4（R ＝t Bu，Me），且其配体处于二价-氨基烷基自由基氧化态。X射线数据和密度泛函理论计算支持了这些配合物中的氨基型自由基特征，这使它们成为首个多核金属胺基自由基配合物。
• Iodothyronine Deiodinase Mimics. Deiodination of <i>o</i>,<i>o</i>‘-Diiodophenols by Selenium and Tellurium Reagents
  作者：Andrei A. Vasil'ev、Lars Engman

  DOI：10.1021/jo972240b

  日期：1998.6.1

  To better understand, and in the extension mimic, the action of the three selenium-containing iodothyronine deiodinases, o,o'-diiodophenols were reacted under acidic conditions with sodium hydrogen telluride, benzenetellurol, sodium hydrogen selenide, or benzeneselenol and under basic conditions with the corresponding deprotonated reagents. Sodium hydrogen telluride was found to selectively remove one iodine from a variety of 4-substituted o,o'-diiodophenols, including a protected form of thyroxine (T-4) Thus, it mimics the D1 variety of the iodothyronine deiodinases. Sodium telluride was a more reactive deiodinating agent toward o,o'-diiodophenols, often causing removal of both halogens. Benzenetellurol and sodium benzenetellurolate sometimes showed useful selectivity for monodeiodination. However, the products were often contaminated by small amounts of organotellurium compounds. Sodium hydrogen selenide, sodium selenide, benzeneselenol, and sodium benzeneselenolate were essentially unreactive toward o,o'-diiodophenols. To gain more insight into thyroxine inner-ring deiodination, substituted 2,6-diiodophenyl methyl ethers were treated with some of the chalcogen reagents. Reactivity and selectivity for monodeiodination varied considerably depending on the substituents attached to the aromatic nucleus. In general, it was possible to find reagents that could bring about the selective mono- or dideiodination of these substrates.