1-(3,4-difluorophenyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]thiourea | 676553-62-1

• 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-(3,4-difluorophenyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]thiourea
• CAS: 676553-62-1
• 化学式: C₁₂H₁₆F₂N₂O₂S
• 分子量: 290.334
• InChiKey: OTKDAPMBVIAUGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.38
• 重原子数：
  19.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  64.52
• 氢给体数：
  4.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(3,4-difluorophenyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]thiourea 在 盐酸 作用下， 反应 0.75h， 生成 2-(3,4-difluorophenylimino)-4-ethyl-4-hydroxymethyl-thiazolidine
  参考文献：
  名称：

  Synthesis and fungicidal activity of fluorine-containing phenylimino-thiazolidines derivatives

  摘要：

  Nine new fluorine-containing phenylimino-thiazolidines derivatives were prepared. The structures of all compounds were confirmed by H-1 NMR, mass and high resolution mass spectroscopy. The antifungicidal activities of the title compounds on Phytophthora capsici L., Pyricularia oryzae C, Fusarium spp. at 100 ppm were screened. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2004.03.004
• 作为产物：
  描述：

  3,4-二氟苯胺 在 sodium hydroxide 作用下， 以 乙酸乙酯 为溶剂， 反应 24.0h， 生成 1-(3,4-difluorophenyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]thiourea
  参考文献：
  名称：

  Synthesis and fungicidal activity of fluorine-containing phenylimino-thiazolidines derivatives

  摘要：

  Nine new fluorine-containing phenylimino-thiazolidines derivatives were prepared. The structures of all compounds were confirmed by H-1 NMR, mass and high resolution mass spectroscopy. The antifungicidal activities of the title compounds on Phytophthora capsici L., Pyricularia oryzae C, Fusarium spp. at 100 ppm were screened. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2004.03.004