1,3-二碘-5-甲氧基苯 | 344324-66-9

• 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: 1,3-二碘-5-甲氧基苯
• 英文名称: 1,3-diiodo-5-methoxybenzene
• 英文别名: 1-Methoxy-3,5-diiodobenzene
• CAS: 344324-66-9
• 化学式: C₇H₆I₂O
• 分子量: 359.933
• InChiKey: XHRFDEOAZQGXMM-UHFFFAOYSA-N

物化性质

• 熔点：
  83-84 °C
• 沸点：
  345.3±22.0 °C(Predicted)
• 密度：
  2.284±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 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：

  1,3-二碘-5-甲氧基苯 在 palladium diacetate 三正丁胺 、 硼酸三异丙酯 、 苄基三乙基氯化铵 、 三溴化硼 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 3.5h， 生成 ((E)-3-hydroxy-5-(4-hydroxystyryl)phenyl)-boronic acid
  参考文献：
  名称：

  [EN] BORONIC ACID COMPOSITIONS AND METHODS RELATED TO CANCER
  [FR] COMPOSITIONS D'ACIDE BORONIQUE ET PROCÉDÉS SE RAPPORTANT AU CANCER

  摘要：

  本发明涉及白藜芦醇的硼酸衍生物化合物和方法。其中某些衍生物相对于白藜芦醇具有增强的功效，作为不可逆调节剂，并在细胞周期的G1/S期发挥作用。

  公开号：

  WO2011022502A1
• 作为产物：
  描述：

  1-碘-3-甲氧基-5-硝基-苯 在 盐酸 、 铁粉 作用下， 生成 1,3-二碘-5-甲氧基苯
  参考文献：
  名称：

  Hodgson; Wignall, Journal of the Chemical Society, 1926, p. 2078

  摘要：

  DOI：

文献信息

• METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND
  申请人：Oda Seiji

  公开号：US20110275859A1

  公开（公告）日：2011-11-10

  A method for manufacturing a conjugated aromatic compound comprising reacting an aromatic compound (A) wherein one or two leaving groups selected from the group consisting of an iodine atom, a bromine atom and a chlorine atom are bonded to an aromatic ring and the aromatic compound (A) does not have (c1) a group represented by the following formula (10): wherein A 1 represents a C1-C20 alkoxy group etc.; (g1) a C1-C20 alkyl group which may be substituted with a fluorine atom etc.; and (h1) a C2-C20 acyl group which may be substituted with a fluorine atom etc., at the neighboring carbon atom to the carbon atom to which the leaving group is bonded, with an aromatic compound (A) having the same structure as that of the above-mentioned aromatic compound (A) or an aromatic compound (B) wherein the aromatic compound (B) is structurally different from the above-mentioned aromatic compound (A), one or two leaving groups selected from the group consisting of an iodine atom, a bromine atom and a chlorine atom are bonded to an aromatic ring and the aromatic compound (B) does not have the above-mentioned (c1), (g1) and (h1) at the neighboring carbon atom to the carbon atom to which the leaving group is bonded, in the presence of (i) a nickel compound, (ii) a metal reducing agent, (iii) at least one ligand (L1) selected from the group consisting of a 2,2′-bipyridine compound having at least one electron-withdrawing group and having no substituent at 3-, 6-, 3′- and 6′-positions, and a 1,10-phenanthroline compound having at least one electron-withdrawing group and having no substituent at 2- and 9-positions, and (iv) at least one ligand (L2) selected from the group consisting of a 2,2′-bipyridine compound having at least one electron-releasing group and having no substituent at 3-, 6-, 3′- and 6′-positions, and a 1,10-phenanthroline compound having at least one electron-releasing group and having no substituent at 2- and 9-positions.

  一种制备共轭芳香化合物的方法，包括将含有一个或两个离去基团的芳香化合物（A）与含有相同结构的上述芳香化合物（A）或结构不同的芳香化合物（B）反应，其中这些离去基团选自碘原子、溴原子和氯原子，与芳香环结合，而芳香化合物（A）没有以下式（10）所代表的基团：其中A1代表C1-C20烷氧基等；（g1）代表C1-C20烷基基团，可能被氟原子等取代；以及（h1）代表C2-C20酰基基团，可能被氟原子等取代，与离去基团结合的碳原子的相邻碳原子处没有上述（c1）、（g1）和（h1），在（i）镍化合物、（ii）金属还原剂、（iii）从2,2′-联吡啶化合物和1,10-邻菲啰啉化合物中选择的至少一种配体（L1），具有至少一个吸电子基团且在3-、6-、3′-和6′-位置没有取代基，以及（iv）从2,2′-联吡啶化合物和1,10-邻菲啰啉化合物中选择的至少一种配体（L2），具有至少一个释电子基团且在3-、6-、3′-和6′-位置没有取代基团的情况下，在上述离去基团结合的碳原子的相邻碳原子处进行反应。
• Facile, One-Pot, and Gram-Scale Synthesis of 3,4,5-Triiodoanisole through a C-H Iodination/<i>ipso</i>-Iododecarboxylation Strategy: Potential Application towards 3,4,5-Trisubstituted Anisoles
  作者：Raed M. Al-Zoubi、Hussein Al-Mughaid、Mariam A. Al-Zoubi、Khaled T. Jaradat、Robert McDonald

  DOI：10.1002/ejoc.201500887

  日期：2015.9

  through a one-pot C–H iodination/ipso-iododecarboxylation reaction was investigated. Commercially available benzoic acid was used, which allowed the reaction to be performed on a multigram scale in good yield. This report discloses a practical method for the one-pot synthesis of hitherto unknown 3,4,5-triiodoanisole that is catalytic, scalable, efficient, and easy to work up and purify. Potential application

  研究了一种通过一锅 C-H 碘化/ipso-碘脱羧反应将对茴香酸转化为 3,4,5-三碘茴香醚的简便、高效和克级规模的方法。使用可商购的苯甲酸，这使得反应能够在多克规模上以良好的产率进行。本报告公开了一种用于一锅法合成迄今为止未知的 3,4,5-三碘苯甲醚的实用方法，该方法具有催化性、可扩展性、高效性且易于处理和纯化。还探讨了目标化合物作为新型位点选择性金属-碘交换和 Suzuki-Miyaura 交叉偶联反应的前体的潜在应用。3,4,5-三取代的苯甲醚衍生物以高度区域选择性的方式提供；
• BORONIC ACID COMPOSITIONS AND METHODS RELATED TO CANCER
  申请人：Brown Milton L.

  公开号：US20120149663A1

  公开（公告）日：2012-06-14

  Disclosed are compounds and methods related to boronic acid derivatives of resveratrol. Certain of these derivatives have enhanced efficacy relative to resveratrol, function as irreversible modulators, and act at the GI/S phase of the cell cycle.

  本发明涉及白藜芦醇的硼酸衍生物化合物和方法。其中某些衍生物具有相对于白藜芦醇增强的功效，作为不可逆调节因子，并在细胞周期的GI/S阶段起作用。
• Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom
  申请人：Isono Yoshimi

  公开号：US20110301305A1

  公开（公告）日：2011-12-08

  According to the present invention, a polymer is obtained by polycondensation of a fluorinated dicarboxylic acid derivative of the general formula (M-1) or an acid anhydride of the fluorinated dicarboxylic acid with a polyfunctional compound having two to four reactive groups corresponding in reactivity to carbonyl moieties of the fluorinated dicarboxylic acid derivative or acid anhydride. [Chem. 134] AOCF 2 C-Q-CF 2 COA′  (M-1) In the above formula, Q represents a divalent organic group having a substituted or unsubstituted aromatic ring; and A and A′ each independently represent an organic group. This polymer exhibits a sufficiently low dielectric constant for use as a semiconductor protection film and has the capability of forming a film at a relatively low temperature of 250° C. or lower.

  根据本发明，通过将通式(M-1)的含氟二羧酸衍生物或含氟二羧酸酸酐与具有与含氟二羧酸衍生物或酸酐的羰基部分相对应的两到四个反应性基团的多官能化合物进行聚合缩合反应，可以得到一种聚合物。[Chem. 134]AOCF2C-Q-CF2COA′  (M-1)在上述公式中，Q代表具有取代或未取代芳香环的二价有机基团; A和A'各自独立地表示有机基团。该聚合物表现出足够低的介电常数，可用作半导体保护膜，并具有在相对较低的温度下（250℃或更低）形成膜的能力。
• Nickel‐Catalyzed Asymmetric Propargyl‐Aryl Cross‐Electrophile Coupling
  作者：Linlin Ding、Yue Zhao、Hongjian Lu、Zhuangzhi Shi、Minyan Wang

  DOI：10.1002/anie.202313655

  日期：2024.1.2

  enantioselective propargyl-aryl cross-coupling between two electrophiles was achieved for the first time in a stereoconvergent manner. The potential utility of this conversion is demonstrated in the facile construction of stereoenriched bioactive molecule derivatives and medicinal compounds based on the diversity of acetylenic chemistry. Detailed experimental studies have revealed the key mechanistic features of this

  首次以立体会聚方式实现了两个亲电子试剂之间的催化对映选择性炔丙基-芳基交叉偶联。这种转化的潜在效用在基于炔属化学多样性的立体富集生物活性分子衍生物和药物化合物的简便构建中得到了证明。详细的实验研究揭示了这种转变的关键机制特征。