5-[2-(4-nitrophenyl)diazen-1-yl]-4-phenyl-1,3-thiazol-2-amine | 59775-83-6

• 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: 5-[2-(4-nitrophenyl)diazen-1-yl]-4-phenyl-1,3-thiazol-2-amine
• 英文别名: 5-(4-nitro-phenylazo)-4-phenyl-thiazol-2-ylamine；2-Thiazolamine, 5-[(4-nitrophenyl)azo]-4-phenyl-；5-[(4-nitrophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine
• CAS: 59775-83-6
• 化学式: C₁₅H₁₁N₅O₂S
• 分子量: 325.351
• InChiKey: YNYVOXXIXHFGKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  138
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5-[2-(4-nitrophenyl)diazen-1-yl]-4-phenyl-1,3-thiazol-2-amine 、 邻硝基苯甲醛 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以65%的产率得到[5-(4-Nitro-phenylazo)-4-phenyl-thiazol-2-yl]-[1-(2-nitro-phenyl)-meth-(E)-ylidene]-amine
  参考文献：
  名称：

  Jain, Rajeev; Tyagi, Sudha; Agarwal, Sharad, Journal of the Indian Chemical Society, 1981, vol. 58, # 11, p. 1112 - 1113

  摘要：

  DOI：
• 作为产物：
  描述：

  苯乙酮 在 盐酸 、 碘 、 sodium nitrite 作用下， 反应 8.0h， 生成 5-[2-(4-nitrophenyl)diazen-1-yl]-4-phenyl-1,3-thiazol-2-amine
  参考文献：
  名称：

  TW2017/38324

  摘要：

  公开号：

文献信息

• Potential COVID-19 Drug Candidates Based on Diazinyl-Thiazol-Imine Moieties: Synthesis and Greener Pastures Biological Study
  作者：Sraa Abu-Melha、Mastoura Mohamed Edrees、Musa A. Said、Sayed M. Riyadh、Nadia S. Al-Kaff、Sobhi M. Gomha

  DOI：10.3390/molecules27020488

  日期：——

  ligands and the receptor’s active amino acid residues. The main aim of using in silco molecular docking was to rank 3a–f with respect to the approved drugs, Molnupiravir and Remdesivir, using free energy methods as greener pastures. A further interesting comparison presented the laydown of the ligands before and after molecular docking. These results and other supporting statistical analyses suggested

  通过2-氨基-4-苯基-5-芳基偶氮噻唑与各种芳香醛的缩合，合成了一系列新型1-芳基-N-[4-苯基-5-(芳基偶氮基)噻唑-2-基)甲亚胺。合成的亚胺通过光谱技术进行表征，即 1H 和 13C-NMR、FTIR、MS 和元素分析。在相同条件下，使用 7BQY（Mpro；PDB 代码 7BQY；分辨率：1.7 A°），参考两种获批药物 Molnupiravir 和 Remdesivir，计算了 3a-f 的分子比较对接研究。对于 3a-f，对 7BQY 的结合分数在 -7.7 到 -8.7 kcal/mol 的范围内。化合物的高分表明分子与受体的结合亲和力增强。这是由于 3a-f 配体与受体的活性氨基酸残基之间的疏水相互作用和多氢键。使用 silco 分子对接的主要目的是使用自由能方法作为更绿色的牧场，在已批准的药物 Molnupiravir 和 Remdesivir 方面排名 3a-f。
• The synthesis of vinyltriethoxysilane-modified heteroaryl thiazole dyes and silica hybrid materials
  作者：Ming-Shien Yen、Chien-Wen Chen

  DOI：10.1016/j.dyepig.2009.12.006

  日期：2010.7

  Hybrid materials composed of tetraethoxysilane and heteroaryl 4-substituent-2-aminothiazoles were prepared. 4-Substituted acetophenone, thiourea and iodide were used to generate the intermediate, 4-substituted-2-aminothiazole, as coupling component, which was then coupled with p-nitroaniline and p-methoxyaniline to yield heteroaryl 4-substitued thiazole azo dyes. The dyes subsequently underwent hydrolytic polycondensation with vinyltriethoxysilane and tetraethoxysilane to yield hybrid, heteroaryl thiazole azo dyes, whose chemical structure was characterized using FT-IR, Si-29 NMR, H-1 NMR and EDS. (C) 2009 Elsevier Ltd. All rights reserved.
• Shawali,A.S.; Abdelhamid,A.O., Journal of Heterocyclic Chemistry, 1976, vol. 13, p. 45 - 49
  作者：Shawali,A.S.、Abdelhamid,A.O.

  DOI：——

  日期：——
• Sol–gel synthesis of organic–inorganic hybrid materials comprising boehmite, silica, and thiazole dye
  作者：Ming-Shien Yen、Mu-Cheng Kuo

  DOI：10.1016/j.dyepig.2012.01.020

  日期：2012.8

  A hybrid material was prepared from a boehmite sol and a thiazole derived azo dye. The thiazole azo dyes were subjected to hydrolytic polycondensation with vinyltriethoxysilane, tetraethoxysilane, and aluminium isopropoxide in different ratios to afford a hybrid of boehmite, silica, and the thiazole heterocycle azo dye. The structures of these hybrid materials were characterized using X-ray diffraction, Fourier-transform infrared analysis, Si-29- and Al-27-nuclear magnetic resonance, ultraviolet-visible absorption spectrophotometry, and an energy-dispersive X-ray spectroscopy. (C) 2012 Elsevier Ltd. All rights reserved.
• Bogert; Chertcoff, Journal of the American Chemical Society, 1924, vol. 46, p. 2867
  作者：Bogert、Chertcoff

  DOI：——

  日期：——