N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine | 56242-70-7

• 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-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
• CAS: 56242-70-7
• 化学式: C₉H₉ClN₂S
• mdl: MFCD03961604
• 分子量: 212.703
• InChiKey: UYQJIPRKMULWTC-UHFFFAOYSA-N

物化性质

• 沸点：
  325.4±44.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  49.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine 、 2,6-二氯甲基吡啶 在 sodium hydride 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 0.5h， 以33%的产率得到N-(2-chlorophenyl)-3-[[6-[[2-(2-chlorophenyl)imino-1,3-thiazolidin-3-yl]methyl]pyridin-2-yl]methyl]-1,3-thiazolidin-2-imine
  参考文献：
  名称：

  Synthesis and Biological Activity of Novel Symmetrical Bis-2-phenyliminothiazolidine Derivatives

  摘要：

  A series of novel symmetrical bis-2-phenyliminothiazolidine derivatives were designed and synthesized. The structures of all the title compounds were characterized by H-1 NMR and, in some cases, by C-13 NMR, IR, and high-resolution mass spectra. Herbicidal activities were examined, and some of these compounds showed selectively herbicidal activity against Triticum aestivum. The type of linker between the two 2-phenyliminothiazolidines was crucial for the biological activities.

  DOI：

  10.1080/10426500600865103
• 作为产物：
  描述：

  2-氯苯基异氰酸酯 在 盐酸 作用下， 以 氯仿 为溶剂， 反应 2.75h， 生成 N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
  参考文献：
  名称：

  Synthesis and Biological Activity of Novel Symmetrical Bis-2-phenyliminothiazolidine Derivatives

  摘要：

  A series of novel symmetrical bis-2-phenyliminothiazolidine derivatives were designed and synthesized. The structures of all the title compounds were characterized by H-1 NMR and, in some cases, by C-13 NMR, IR, and high-resolution mass spectra. Herbicidal activities were examined, and some of these compounds showed selectively herbicidal activity against Triticum aestivum. The type of linker between the two 2-phenyliminothiazolidines was crucial for the biological activities.

  DOI：

  10.1080/10426500600865103

文献信息

• Synthesis and Biological Activity of Novel Symmetrical Bis-2-phenyliminothiazolidine Derivatives
  作者：Gang-Yue Li、Xu-Hong Qian、Sheng-Gang Yan、Jing-Nan Cui、Qing-Chun Huang、Rong Zhang、Feng-Yu Liu、Da-Wei Cui

  DOI：10.1080/10426500600865103

  日期：2006.12.1

  A series of novel symmetrical bis-2-phenyliminothiazolidine derivatives were designed and synthesized. The structures of all the title compounds were characterized by H-1 NMR and, in some cases, by C-13 NMR, IR, and high-resolution mass spectra. Herbicidal activities were examined, and some of these compounds showed selectively herbicidal activity against Triticum aestivum. The type of linker between the two 2-phenyliminothiazolidines was crucial for the biological activities.