N-[4-(heptyloxy)phenyl]-N’-(4-nitrobenzoyl)thiourea | 880574-96-9

• 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: N-[4-(heptyloxy)phenyl]-N’-(4-nitrobenzoyl)thiourea
• 英文别名: N-[(4-heptoxyphenyl)carbamothioyl]-4-nitrobenzamide
• CAS: 880574-96-9
• 化学式: C₂₁H₂₅N₃O₄S
• 分子量: 415.513
• InChiKey: INZTYCMMALLCMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-硝基苯甲酰氯 以 丙酮 为溶剂， 反应 8.0h， 生成 N-[4-(heptyloxy)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

文献信息

• Synthesis and Characterization of Nitrobenzoylthiourea Derivatives as Potential Conductive Biodegradable Thin Films
  作者：Wan M. Khairul、Khalisah Asilah Mokthar、M. I. N. Isa、A. S. Samsudin、Hasyiya Karimah Adli、Saidatul Radhiah Ghazali、Adibah Izzati Daud

  DOI：10.1080/10426507.2013.844137

  日期：2014.5.4

  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.