(4-nitrobenzoyl)thiocyanate | 128896-93-5

• 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-nitrobenzoyl)thiocyanate
• 英文别名: 4-Nitrobenzothiocyanat；S-cyano 4-nitrobenzenecarbothioate
• CAS: 128896-93-5
• 化学式: C₈H₄N₂O₃S
• 分子量: 208.197
• InChiKey: CUWVKIGCLPOSOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4-nitrobenzoyl)thiocyanate 、 4-癸烷氧基苯胺 以 丙酮 为溶剂， 反应 4.0h， 以3.52 g的产率得到N-[4-(decyloxy)phenyl]-N’-(4-nitrobenzoyl)thiourea
  参考文献：
  名称：

  Synthesis and Characterization of Nitrobenzoylthiourea Derivatives as Potential Conductive Biodegradable Thin Films

  摘要：

  The application of thiourea derivatives as conjugated molecular wire candidates in the field of material sciences has attracted great attention recently. To date, conjugated thiourea systems as molecular wires are surprisingly unexplored although the well-known rigid p-systems promise a wide range of electronic properties. Due to this matter, five novel thiourea derivatives A-ArC(O)NHC(S)NHAr-D with polar head and tail groups, namely NO2 (acceptor A) and alkoxy with varying chain lengths (donor D = OCnH2n+1, n = 6, 7, 8, 9, 10), were successfully synthesized and characterized. All compounds were characterized by IR, UV-vis, H-1 and C-13 NMR spectroscopy, and CHNS elemental microanalysis. The investigation of their potential as dopant systems in polymer conducting films has been accomplished by incorporating of chitosan via the solution casting technique.The conductivity values were obtained using impedance spectroscopy. They show that the ionic conductivities of the N-(4-alkoxyphenyl)-N'-(4-nitrobenzoyl)thioureas increase with increasing chain length of the alkoxy chain. The compounds exhibit great potential for the exploration of future applications as doping systems in conductive materials.

  DOI：

  10.1080/10426507.2013.844137
• 作为产物：
  描述：

  4-硝基苯甲酰氯 、 硫氰酸铵 在 polyethyleneglycol (PEG-400) 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 (4-nitrobenzoyl)thiocyanate
  参考文献：
  名称：

  双-N,N-(取代芳基-2-亚氨基-1,3-氧氮杂)硫代氨基甲酰胺的合成

  摘要：

  DOI：

  10.1515/hc.2008.14.4.229

文献信息

• Ionic-liquid Promoted Multi-component Preparation of Pyrazolo[3,4-d]thiazolo[3,2-a]pyrimidines under Solvent-free Conditions
  作者：Morteza Ziyaadini、Seyyed Jalal Roudbaraki、Majid Ghashang

  DOI：10.1080/00304948.2020.1763098

  日期：2020.7.3

  potential. For example, thiazolo[3,2-a]pyrimidines have been shown to have useful activities as HSV-1 and acetylcholinesterase inhibitors, and they act as platelet aggregation inhibitors. The work by Cai and co-workers demonstrated the antibacterial and antitubercular activities of thiazolo[3,2-a]pyrimidin-5-ones. Moreover, Zhao and co-workers showed that halogenated thiazolo[3,2-a]pyrimidin-3-one derivatives

  化学工业中广泛使用有毒和挥发性溶剂会导致严重的环境破坏。因此，为这些对环境无害的溶剂寻找合适的替代品对制药和化学工业非常重要。离子液体作为溶剂在减少有害和有毒化合物的使用方面发挥着非常重要的作用。离子液体可以替代许多常见的溶剂。它们是不可燃、不腐蚀、低蒸气压的化合物，具有很高的热稳定性、化学稳定性和电化学稳定性，并且可以长期保持使用。同样，在使用离子液体作为催化剂方面也有重要发现。嘧啶单元在有机合成中至关重要，因为它们存在于许多具有医学和生物学潜力的天然和合成结构中。例如，噻唑并 [3,2-a] 嘧啶已被证明具有作为 HSV-1 和乙酰胆碱酯酶抑制剂的有用活性，并且它们充当血小板聚集抑制剂。Cai 及其同事的工作证明了 thiazolo[3,2-a]pyrimidin-5-ones 的抗菌和抗结核活性。此外，赵及其同事表明卤化噻唑并[3,2-a]嘧啶-3-one衍生物表现出有希望的抗菌和抗生物膜活性。因此，噻唑并[3
• Regioselective Synthesis of Novel [N-(4-Oxo-3-(2-phenyl-1,8-naphthyridin-3-yl)-thiazolidin-2-ylidene)]acetamide/benzamides and their Biological Activity
  作者：RAMALINGAM KUNDENAPALLY、RAMESH DOMALA、B. SREENIVASULU

  DOI：10.14233/ajchem.2019.21881

  日期：2019.5.25

  1,8-naphthyridine based 2-iminothiazolidin-4-one derivatives was synthesized by a straight-forward regioselective synthesis. 2-Phenyl-1,8-naphthyridin-3-amine (2) was reacted with acetyl or aroyl isothiocyantes to give the corresponding N-[(2-phenyl-1,8-naphthyridin-3-yl)carbamothioyl)]acetamide or benzamides (3a-e). Finally, the target compounds [N-(4-oxo-3-(2-phenyl-1,8-naphthyridin-3-yl)thiazoli

  为了发现对抗细菌感染的新抗菌剂，通过直接区域选择性合成合成了一系列基于 1,8-萘啶的 2-亚氨基噻唑烷-4-酮衍生物。2-苯基-1,8-萘啶-3-胺(2)与乙酰基或芳酰基异硫氰酸酯反应，得到相应的N-[(2-苯基-1,8-萘啶-3-基)硫氨甲酰基)]乙酰胺或苯甲酰胺（3a-e）。最终通过反应得到目标化合物[N-(4-氧代-3-(2-苯基-1,8-萘啶-3-基)噻唑烷-2-亚基)]乙酰胺或苯甲酰胺(4a-e)硫脲(3a-e)与氯乙酰氯在吡啶存在下反应。所有合成产物均以良好的产率形成，并且通过光谱（IR、EI-MS 和 NMR）和物理数据对它们的结构进行了表征。针对细菌菌株评估了标题化合物的生物活性，发现其更有效。