4-iodo-2,6-dinitroaniline | 645409-65-0

• 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: 4-iodo-2,6-dinitroaniline
• 英文别名: 4-Jod-2,6-dinitro-anilin
• CAS: 645409-65-0
• 化学式: C₆H₄IN₃O₄
• 分子量: 309.02
• InChiKey: DQSVHOOCDMBBAU-UHFFFAOYSA-N

物化性质

• 熔点：
  175 °C
• 沸点：
  407.8±45.0 °C(Predicted)
• 密度：
  2.247±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-iodo-2,6-dinitroaniline 在 咪唑 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 ammonium sulfide 、 copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 27.0h， 生成 5-Amino-15-bromo-7-(didodecylamino)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
  参考文献：
  名称：

  [EN] ELECTRO-POLARIZABLE COMPOUND AND CAPACITOR
  [FR] COMPOSÉ ÉLECTRO-POLARISABLE ET CONDENSATEUR

  摘要：

  一个电极化合物的一般公式是： _ _ | ____________ | | | | | | | [R1]m | | <-NLE | | | | | | | | [ Core1 ]-----|-[Core2]n |-[R4]k (I) | |___ |_______| | | | | | | | [R2]p [R3]s | |_ _| Core1是一个二维平面芳香多环共轭分子，R1是一个掺杂基团，其数量为m=1, 2, 3或4。R2是一个离子取代基，其数量为p=0, 1, 2, 3或4。片段NLE具有非线性极化效应。Core2是一个电导性寡聚物，其数量为n=0, 2或4。R3是一个离子取代基，其数量为s=0, 1, 2, 3或4。R4是一个电阻性取代基，其数量为k=0, 1, 2, 3, 4, 5, 6, 7或8。

  公开号：

  WO2017176509A1
• 作为产物：
  描述：

  2-氯-5-碘-1,3-二硝基-苯 在 乙醇 、 氨 作用下， 生成 4-iodo-2,6-dinitroaniline
  参考文献：
  名称：

  Joshi; Sane, Journal of the Indian Chemical Society, 1933, vol. 10, p. 459,462

  摘要：

  DOI：

文献信息

• Mild Synthesis of Polyfunctional Benzimidazoles and Indoles by the Reduction of Functionalized Nitroarenes with Phenylmagnesium Chloride
  作者：Wolfgang Dohle、Anne Staubitz、Paul Knochel

  DOI：10.1002/chem.200305090

  日期：2003.11.7

  Phenylmagnesium chloride has been used for the conversion of selected nitroarenes into nitrenes. Their insertion into a neighboring sp(2) C-H bond yielded functionalized heterocycles. A novel and mild synthesis of polyfunctional benzimidazoles and indoles is described.

  苯基氯化镁已用于将选定的硝基芳烃转化为腈。他们插入到相邻的sp（2）CH键产生官能化的杂环。描述了一种新颖且温和的多官能苯并咪唑和吲哚的合成方法。
• [EN] ORGANIC COMPOUND, CRYSTAL DIELECTRIC LAYER AND CAPACITOR BACKGROUND<br/>[FR] COMPOSÉ ORGANIQUE, COUCHE DIÉLECTRIQUE CRISTALLINE ET ARRIÈRE-PLAN DE CONDENSATEUR
  申请人：CAPACITOR SCIENCES INC

  公开号：WO2017070249A1

  公开（公告）日：2017-04-27

  The present disclosure provides an organic compound characterized by electronic polarizability and having a following general structural formula: where Core is an aromatic polycyclic conjugated molecule, R1 is group providing solubility of the organic compound in an organic solvent, n is 1, 2, 3, 4, 5, 6, 7 or 8, R2 is substitute located in apex positions, R3 and R4 are substitutes located in side (lateral) positions and, the core has flat anisometric form and the R2 substitutes are selected from hydrogen and electrophilic groups (acceptors) and R3 substitutes and R4 substitutes are independently selected from hydrogen and nucleophilic groups (donors) or vice versa R3 substitutes and R4 substitutes are independently selected from hydrogen and nucleophilic groups (donors) and R2 substitutes are selected from hydrogen and electrophilic groups (acceptors), and the substitutes R2, R3 and R4 cannot all be hydrogen.

  本公开提供了一种有电子极化特性的有机化合物，其具有以下一般结构式：其中Core是芳香多环共轭分子，R1是提供有机化合物在有机溶剂中溶解性的基团，n为1、2、3、4、5、6、7或8，R2是位于顶点位置的取代基，R3和R4是位于侧（侧面）位置的取代基，核心具有扁平的非等轴形式，R2取代基可选择为氢和亲电团（受体），而R3取代基和R4取代基可独立选择为氢和亲核团（给体），或者R3取代基和R4取代基可独立选择为氢和亲核团（给体），而R2取代基可选择为氢和亲电团（受体），且取代基R2、R3和R4不能全部为氢。
• Electro-polarizable compound and capacitor
  申请人：CAPACITOR SCIENCES INCORPORATED

  公开号：US10707019B2

  公开（公告）日：2020-07-07

  An electro-polarizable compound has the following general formula: where Core1 is an aromatic polycyclic conjugated molecule having two-dimensional flat form and self-assembling by pi-pi stacking in a column-like supramolecule, which is tetrapirolic macro-cyclic fragment, R1 is an dopant group connected to Core1, m is number of R1 which is equal to 1, 2, 3 or 4, R2 is a substituent comprising one or more ionic groups, p is number of R2 which is equal to 0, 1, 2, 3 or 4. The fragment marked NLE containing the Core1 with at least one R1 has a nonlinear effect of polarization. Core2 is an electro-conductive oligomer self-assembling by pi-pi stacking in a column-like supramolecule, n is number of Core2 which is equal to 2, or 4, R3 is a substituent comprising one or more ionic groups, s is number of R3 which is equal to 0, 1, 2, 3 or 4. R4 is a non-polar resistive substituent, k is a number of R4 which is equal to 0, 1, 2, 3, 4, 5, 6, 7 or 8.

  一种电极化化合物的通式如下： 其中，Core1 是一种芳香族多环共轭分子，具有二维平面形式，并通过π-π堆叠自组装成柱状超分子，即四元大环片段；R1 是与 Core1 连接的掺杂基团；m 是 R1 的数目，等于 1、2、3 或 4；R2 是由一个或多个离子基团组成的取代基；p 是 R2 的数目，等于 0、1、2、3 或 4。含有至少一个 R1 的 Core1 的标记 NLE 片段具有非线性极化效应。Core2 是通过π-π堆叠自组装成柱状超分子的导电低聚物，n 是 Core2 的数目，等于 2 或 4，R3 是由一个或多个离子基团组成的取代基，s 是 R3 的数目，等于 0、1、2、3 或 4。R4 是非极性电阻取代基，k 是 R4 的数目，等于 0、1、2、3、4、5、6、7 或 8。
• ORGANIC COMPOUND, CRYSTAL DIELECTRIC LAYER AND CAPACITOR
  申请人：Capacitor Sciences Incorporated

  公开号：US20170117097A1

  公开（公告）日：2017-04-27

  The present disclosure provides an organic compound characterized by electronic polarizability and having a following general structural formula: where Core is an aromatic polycyclic conjugated molecule, R 1 is group providing solubility of the organic compound in an organic solvent, n is 1, 2, 3, 4, 5, 6, 7 or 8, R 2 is substitute located in apex positions, R3 and R4 are substitutes located in side (lateral) positions and, the core has flat anisometric form and the R 2 substitutes are selected from hydrogen and electrophilic groups (acceptors) and R 3 substitutes and R 4 substitutes are independently selected from hydrogen and nucleophilic groups (donors) or vice versa R 3 substitutes and R 4 substitutes are independently selected from hydrogen and nucleophilic groups (donors) and R 2 substitutes are selected from hydrogen and electrophilic groups (acceptors), and the substitutes R 2 , R 3 and R 4 cannot all be hydrogen.
• ELECTRO-POLARIZABLE COMPOUND AND CAPACITOR
  申请人：Capacitor Sciences Incorporated

  公开号：US20170287637A1

  公开（公告）日：2017-10-05

  An electro-polarizable compound has the following general formula: Core1 is an aromatic polycyclic conjugated molecule having two-dimensional teat form and self-assembling by pi-pi stacking in a column-like supramolecule, R1 is a dopant group connected to Core1; a number m of R1 groups is 1, 2, 3 or 4. R2 is a substituent comprising one or more ionic groups connected to Core1; a number p of ionic groups R2 is 0, 1, 2, 3 or 4. The fragment marked NLE has a nonlinear polarization effect. Core2 is an electro-conductive oligomer self-assembling by pi-pi stacking in a column-like supramolecule, a number n of such oligomers is 0, 2, or 4. R3 is a substituent comprising one or more ionic groups connected to Core2; a number s of the ionic groups R3 is 0, 1, 2, 3 or 4. R4 is a resistive substituent providing solubility of the compound in a solvent and electrically insulating the column-like supramolecules from each other. A number k of substituents R4 is 0, 1, 2, 3, 4, 5, 6, 7 or 8.