(E)-5-(4-methylbenzylidene)-3-ethyl-1-methyl-2-thioxoimidazolidin-4-one

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (E)-5-(4-methylbenzylidene)-3-ethyl-1-methyl-2-thioxoimidazolidin-4-one
• 英文别名: (5E)-3-ethyl-1-methyl-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
• 化学式: C₁₄H₁₆N₂OS
• 分子量: 260.36
• InChiKey: FYKDICRIEQEZRS-FMIVXFBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  55.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (E)-5-(4-methylbenzylidene)-1-methyl-2-thioxoimidazolidin-4-one 、 碘乙烷 在 sodium hydride 作用下， 以 乙腈 为溶剂， 反应 4.5h， 以61%的产率得到(E)-5-(4-methylbenzylidene)-3-ethyl-1-methyl-2-thioxoimidazolidin-4-one
  参考文献：
  名称：

  设计，合成，DFT，分子模型研究和新型的3-取代（E）-5-（亚芳基）-1-甲基-2-硫代氧杂咪唑啉丁-4-酮对乳腺癌MCF-7，肝HepG2具有强的细胞毒性和肺A549

  摘要：

  我们报告新的3-取代的（合成ë）-5-（亚芳基）-1-甲基-2-硫代咪唑烷-4-酮6 - 11，以及它们的生物学评价。基于已知抑制剂（例如氟尿嘧啶（5-FU））的结构和药效基团分析，我们设想了有趣的2-thioxoimidazolidin-4-one化合物，3-取代的（E）-5-（亚芳基）-1-甲基-2-thioxoimidazolidin预期与-4 -FU的结构特征完全匹配的-4-ones 6-11。通过5  →  6  →  7  →  10  →  11的合成途径可有效合成二十四种目标化合物6-11，是在考虑了几种可能的合成途径后建立的。通过1-甲基-2-硫代氧杂咪唑啉丁-4-酮（3）的反应合成了一系列（E）-5-（亚芳基）-1-甲基-2-硫代氧杂咪唑啉酮酮5a-d，其依次通过以下步骤制备。的反应ñ甲基甘氨酸（2）用NH 4 SCN，接着Knoevenagel缩合。Ñ烷基化和Ñ -g

  DOI：

  10.1016/j.molstruc.2020.129805

文献信息

• PIGMENT-DISPERSED COMPOSITION, COLORED PHOTOSENSITIVE COMPOSITION, PHOTOCURABLE COMPOSITION, COLOR FILTER, LIQUID CRYSTAL DISPLAY DEVICE, AND SOLID-STATE IMAGE PICKUP DEVICE
  申请人：Fujimaki Kazuhiro

  公开号：US20110014401A1

  公开（公告）日：2011-01-20

  A pigment-dispersed composition includes (a) a high-molecular compound containing at least one kind of repeating unit selected from repeating units each represented by the following Formula (I) or (II), (b) a pigment, and (c) an organic solvent, wherein, in Formulae (I) and (II), R 1 to R 6 each represent a hydrogen atom or another group; X 1 and X 2 each represent —CO—, —C(═O)O—, —CONH—, —OC(═O)—, or a phenylene group; L 1 and L 2 each represent a single bond or a divalent organic linking group; A 1 and A 2 each represent a monovalent organic group; m and n each represent an integer of from 2 to 8; and p and q each represent an integer of from 1 to 100. Also disclosed is a pigment-dispersed composition containing (A) a graft high-molecular polymer in which acrylic acid is copolymerized at a proportion of from 5% by mass to 30% by mass in the main chain thereof, (B) a pigment, and (C) an organic solvent.
• COLOR FILTER AND IMAGE DISPLAY APPARATUS HAVING THE SAME
  申请人：Matsumoto Keisuke

  公开号：US20120205599A1

  公开（公告）日：2012-08-16

  A color filter which has a green colored area that is heat-resistant and has a high luminance, and which is excellent in terms of color reproducibility when applied to an image display apparatus, is provided. An image display apparatus which has the color filter and is excellent in terms of color reproducibility is provided. The color filter has, on a substrate, a green colored area that contains a green pigment or cyan pigment and at least one yellow dye selected from the group consisting of the following (1) to (3): (1) a methine dye having a pyrazolotriazole ring in a structure thereof; (2) an azo dye having a pyridone ring in a structure thereof; and (3) an azo dye having a pyrazole ring in a structure thereof.
• US8362140B2
  申请人：——

  公开号：US8362140B2

  公开（公告）日：2013-01-29
• Design, synthesis, DFT, molecular modelling studies and biological evaluation of novel 3-substituted (E)-5-(arylidene)-1-methyl-2-thioxoimidazolidin-4-ones with potent cytotoxic activities against breast MCF-7, liver HepG2, and lung A549
  作者：Ahmed I. Khodair、Safyah B. Bakare、Mohamed K. Awad、Mohamed S. Nafie

  DOI：10.1016/j.molstruc.2020.129805

  日期：2021.4

  We report the synthesis of novel 3-substituted (E)-5-(arylidene)-1-methyl-2-thioxoimidazolidin-4-ones 6-11, and their biological evaluation. Based on structural and pharmacophore analyses of known inhibitors such as fluorouracil (5-FU), we envisioned interesting 2-thioxoimidazolidin-4-one compounds, 3-substituted (E)-5-(arylidene)-1-methyl-2-thioxoimidazolidin-4-ones 6-11 that would be expected to

  我们报告新的3-取代的（合成ë）-5-（亚芳基）-1-甲基-2-硫代咪唑烷-4-酮6 - 11，以及它们的生物学评价。基于已知抑制剂（例如氟尿嘧啶（5-FU））的结构和药效基团分析，我们设想了有趣的2-thioxoimidazolidin-4-one化合物，3-取代的（E）-5-（亚芳基）-1-甲基-2-thioxoimidazolidin预期与-4 -FU的结构特征完全匹配的-4-ones 6-11。通过5  →  6  →  7  →  10  →  11的合成途径可有效合成二十四种目标化合物6-11，是在考虑了几种可能的合成途径后建立的。通过1-甲基-2-硫代氧杂咪唑啉丁-4-酮（3）的反应合成了一系列（E）-5-（亚芳基）-1-甲基-2-硫代氧杂咪唑啉酮酮5a-d，其依次通过以下步骤制备。的反应ñ甲基甘氨酸（2）用NH 4 SCN，接着Knoevenagel缩合。Ñ烷基化和Ñ -g