1-(2-fluorophenyl)-3-(2-hydroxyethyl)thiourea | 59312-30-0

• 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: 1-(2-fluorophenyl)-3-(2-hydroxyethyl)thiourea
• CAS: 59312-30-0
• 化学式: C₉H₁₁FN₂OS
• mdl: MFCD03713704
• 分子量: 214.264
• InChiKey: DWNYVEFMWQXMJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  76.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-fluorophenyl)-3-(2-hydroxyethyl)thiourea 在 mercury(II) oxide 作用下， 以 乙醚 、 丙酮 为溶剂， 反应 24.0h， 生成 (2-Fluoro-phenyl)-oxazolidin-(2E)-ylidene-amine
  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-氟苯胺 在 sodium hydroxide 作用下， 以 乙酸乙酯 为溶剂， 生成 1-(2-fluorophenyl)-3-(2-hydroxyethyl)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 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.
• US3950538A
  申请人：——

  公开号：US3950538A

  公开（公告）日：1976-04-13
• 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.