2,2'-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methanylylidene))-dimalononitrile | 295805-01-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,2'-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methanylylidene))-dimalononitrile
• 英文别名: 2-[[2-[2-[2-(2,2-Dicyanoethenyl)phenoxy]ethoxy]phenyl]methylidene]propanedinitrile
• CAS: 295805-01-5
• 化学式: C₂₂H₁₄N₄O₂
• 分子量: 366.379
• InChiKey: PVNIKGCCKPSBTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(3H-咪唑并[4,5-b]吡啶-2-基)乙腈 、 2,2'-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methanylylidene))-dimalononitrile 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以87%的产率得到2,2'-{3,3'-[ethane-1,2-diylbis(oxy)]bis(2,1-phenylene)}bis[2-(3H-imidazo[4,5-b]pyrid-2-yl)acrylonitrile]
  参考文献：
  名称：

  Synthesis and DTF studies of novel aminoimidazodipyridines using 2-(3H-imidazo[4,5-b]pyridin-2-yl)acetonitrile as an efficient key precursor

  摘要：

  DOI：

  10.24820/ark.5550190.p011.415
• 作为产物：
  描述：

  丙二腈 在 ammonium acetate 作用下， 以74%的产率得到2,2'-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methanylylidene))-dimalononitrile
  参考文献：
  名称：

  Temperature-Dependent Synthesis of Metal-Organic Frameworks Based on a Flexible Tetradentate Ligand with Bidirectional Coordination Donors

  摘要：

  Using a temperature-dependent synthetic approach, four distinct new silver(I) coordination polymers resulting from the different conformations adopted by the flexible ligand at different temperatures were obtained.

  DOI：

  10.1021/ja0701917

文献信息

• Synthesis and Anti‐influenza Virus Activity of Novel bis(4<i>H</i>‐chromene‐3‐carbonitrile) Derivatives
  作者：Amna M. Abdella、Yassmin Moatasim、Mohamed A. Ali、Ahmed H. M. Elwahy、Ismail A. Abdelhamid

  DOI：10.1002/jhet.2776

  日期：2017.5

  method for the synthesis of bis(4H‐chromene‐3‐carbonitrile) derivatives by one‐pot, multicomponent reaction of bis‐aldehydes, malononitrile, and dimedone in the presence of a catalytic amount of piperidine is reported. Bis(2‐benzylidene‐1H‐indene)‐1,3‐(2H)‐dione derivatives were obtained as the main products as a result of reaction of the bis(arylidenemalononitriles) with indandione. The anti‐influenza

  据报道，在催化量的哌啶存在下，通过双锅，双醛，丙二腈和二甲酮的多组分反应，合成双（4 H-色烯-3-腈）衍生物的一种有效，便捷的方法。由于双（亚芳基丙二腈）与茚满二酮的反应，获得了作为主要产物的双（2-苄叉基-1 H-茚）-1,3-（2 H）-二酮衍生物。还研究了新制备的双色烯衍生物的抗H5N1流感病毒活性。
• Novel bis(dihydropyrano[3,2-<i>c</i>]chromenes): Synthesis, Antiproliferative Effect and Molecular Docking Simulation
  作者：Amna M. Abdella、Magda F. Mohamed、Aly F. Mohamed、Ahmed H. M. Elwahy、Ismail A. Abdelhamid

  DOI：10.1002/jhet.3072

  日期：2018.2

  An efficient and convenient route for the synthesis of novel bis dihydropyrano[3,2‐c]chromenes is reported. The synthetic pathway involves one‐pot, multicomponent reaction of bis‐aldehydes, malononitrile, and 4‐hydroxycoumarin in the presence of pyridine or acetic acid/sodium acetate. A stepwise approach for the synthesis of the target compounds was also investigated. The anticancer activity of the

  报道了一种新颖的双二氢吡喃并[3,2- c ]二甲基苯酮合成的有效简便途径。合成途径涉及在吡啶或乙酸/乙酸钠存在下双醛，丙二腈和4-羟基香豆素的单锅多组分反应。还研究了合成目标化合物的逐步方法。评估了合成产物对MCF7，HEPG2和A549细胞系的抗癌活性。为了检测6g的分子作用，使用DHFR PDB：ID（1DLS）进行了对接模拟。研究表明，化合物6g通过六种结合牢固地适合于目标蛋白的活性位点，因此，它被认为是有希望的癌症增殖抑制剂。
• Microwave Assisted Green Multicomponent Synthesis of Novel bis(2-Amino-tetrahydro-4<i>H</i>-chromene-3-carbonitrile) Derivatives Using Chitosan as Eco-friendly Basic Catalyst
  作者：Soad K. Salama、Ahmed F. Darweesh、Ismail A. Abdelhamid、Ahmed H. M. Elwahy

  DOI：10.1002/jhet.2584

  日期：2017.1

  efficient, and eco‐friendly procedure has been developed for the synthesis of bis(4H‐chromene‐3‐carbonitrile) derivatives using chitosan as catalyst under microwave‐assisted reaction conditions. For the sake of comparison, the reaction was also carried out under conventional heating in the presence of each of chitosan and piperidine as basic catalysts.

  已开发了一种简单，高效且环保的方法，在微波辅助反应条件下，使用壳聚糖作为催化剂合成双（4 H-色烯-3-腈）衍生物。为了比较，该反应也在壳聚糖和哌啶各自作为碱性催化剂的存在下在常规加热下进行。
• Bis(β-Difunctional) Compounds: Versatile Starting Materials for Novel Bis(Heterocycles)
  作者：Ahmed H. M. Elwahy、Ashraf A. Abbas

  DOI：10.1080/00397910008087441

  日期：2000.8

  Abstract New bis(β-difunctional) compounds could be prepared in good yields. Their utility as intermediates in the synthesis of novel bis(heterocycles) were also investigated.

  摘要 可以以良好的收率制备新的双（β-双官能）化合物。还研究了它们在合成新型双（杂环）中作为中间体的用途。
• 3‐Amino‐5‐cyanomethylpyrazole‐4‐carbonitrile: Versatile Reagent for Novel Bis(pyrazolo[1,5‐<i>a</i>]pyridine) Derivatives<i>via</i>a Multicomponent Reaction
  作者：Amr M. Abdelmoniem、Said A. S. Ghozlan、Doaa M. Abdelmoniem、Ahmed H. M. Elwahy、Ismail A. Abdelhamid

  DOI：10.1002/jhet.3346

  日期：2018.12

  An efficient synthesis of novel bis(pyrazolo[1,5‐a]pyridine) derivatives through Michael addition reaction of 3‐amino‐5‐cyanomethylpyrazole‐4‐carbonitrile with bis‐arylidenemalononitrile is reported. All new compounds are characterized by different spectral tools.

  据报道，通过3-氨基-5-氰基甲基吡唑-4-腈与双芳基丙二腈的迈克尔加成反应可以有效合成新型双（吡唑并[1,5- a ]吡啶）衍生物。所有新化合物都具有不同的光谱工具。