N,N'-Di(2,4-difluorophenyl)thiourea | 354151-65-8

• 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,N'-Di(2,4-difluorophenyl)thiourea
• 英文别名: 1,3-Bis(2,4-difluorophenyl)thiourea
• CAS: 354151-65-8
• 化学式: C₁₃H₈F₄N₂S
• 分子量: 300.28
• InChiKey: DXJFCSZZVRTKEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N,N'-Di(2,4-difluorophenyl)thiourea 、 碘甲烷 以 甲醇 为溶剂， 反应 6.0h， 生成 1,3-Bis-(2,4-difluoro-phenyl)-2-methyl-isothiourea
  参考文献：
  名称：

  Syntheses, structures and bioactivities of fluorine-containing phenylimino-thia(oxa)zolidine derivatives as agricultural bioregulators

  摘要：

  From insight into the structure of trehazolin as trehalase inhibitor, six series of fluorine-containing phenylimino-thiazolidines (oxazolidines) derivatives were designed and prepared through a convenient synthesis of fluoroaryl isothiocyanate and a one-pot facile synthesis in high yield of fluorophenyl aminobenzoxazoles by cyclodesulfurization. The structures of the target compounds were confirmed with using IR, NMR, MS and elemental analysis. Their X-ray crystal analysis suggested that there were novel intermolecular (sp(2)CF(...)H(3)C-) and intramolecular (sp(2)CF(...)HN) hydrogen bonds between the fluorine atom on benzene ring and hydrogen atom of methyl group or amino group on five-membered heterocycle. Their fungicidal activities against Rhizoctonia solani and Pyricuraria oryzae at 100 ppm were determined. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2004.09.002
• 作为产物：
  描述：

  2,4-二氟苯胺 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 32.67h， 生成 N,N'-Di(2,4-difluorophenyl)thiourea
  参考文献：
  名称：

  Syntheses, structures and bioactivities of fluorine-containing phenylimino-thia(oxa)zolidine derivatives as agricultural bioregulators

  摘要：

  From insight into the structure of trehazolin as trehalase inhibitor, six series of fluorine-containing phenylimino-thiazolidines (oxazolidines) derivatives were designed and prepared through a convenient synthesis of fluoroaryl isothiocyanate and a one-pot facile synthesis in high yield of fluorophenyl aminobenzoxazoles by cyclodesulfurization. The structures of the target compounds were confirmed with using IR, NMR, MS and elemental analysis. Their X-ray crystal analysis suggested that there were novel intermolecular (sp(2)CF(...)H(3)C-) and intramolecular (sp(2)CF(...)HN) hydrogen bonds between the fluorine atom on benzene ring and hydrogen atom of methyl group or amino group on five-membered heterocycle. Their fungicidal activities against Rhizoctonia solani and Pyricuraria oryzae at 100 ppm were determined. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2004.09.002

文献信息

• Synthesis and biological activities of fluorine-containing N , N ′-diphenylcarbamimidothioates
  作者：Zhibin Li、Xuhong Qian、Gonghua Song、Zhong Li

  DOI：10.1016/s0022-1139(01)00352-9

  日期：2001.5

  A series of fluorine-containing N,N'-diphenylcarbamimidothioate a 6a-i have been synthesized by treatment of the corresponding arylamine with the aryl isothiocyanate in ethanol at room temperature followed by treatment with methyl iodide. The antifungal activities against the fungi Rhizoctonia solani and Pyricoraria orizae of the title compounds have been screened. (C) 2001 Elsevier Science B.V. All rights reserved.
• Syntheses, structures and bioactivities of fluorine-containing phenylimino-thia(oxa)zolidine derivatives as agricultural bioregulators
  作者：Xuhong Qian、Xiaoyong Xu、Zhibin Li、Zhong Li、Gonghua Song

  DOI：10.1016/j.jfluchem.2004.09.002

  日期：2004.11

  From insight into the structure of trehazolin as trehalase inhibitor, six series of fluorine-containing phenylimino-thiazolidines (oxazolidines) derivatives were designed and prepared through a convenient synthesis of fluoroaryl isothiocyanate and a one-pot facile synthesis in high yield of fluorophenyl aminobenzoxazoles by cyclodesulfurization. The structures of the target compounds were confirmed with using IR, NMR, MS and elemental analysis. Their X-ray crystal analysis suggested that there were novel intermolecular (sp(2)CF(...)H(3)C-) and intramolecular (sp(2)CF(...)HN) hydrogen bonds between the fluorine atom on benzene ring and hydrogen atom of methyl group or amino group on five-membered heterocycle. Their fungicidal activities against Rhizoctonia solani and Pyricuraria oryzae at 100 ppm were determined. (C) 2004 Elsevier B.V. All rights reserved.