bis-1,3-S-(morpho-4-yldithiocarbamoyl)-1,3-dideoxyglycerol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: bis-1,3-S-(morpho-4-yldithiocarbamoyl)-1,3-dideoxyglycerol
• 英文别名: [2-Hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate
• 化学式: C₁₃H₂₂N₂O₃S₄
• 分子量: 382.593
• InChiKey: PDGUFUHAIKONCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  160
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1,3-二氯丙醇 、 morpho-4-yldithiocarbamic acid lithium salt 以 丙酮 为溶剂， 反应 1.0h， 以42%的产率得到bis-1,3-S-(morpho-4-yldithiocarbamoyl)-1,3-dideoxyglycerol
  参考文献：
  名称：

  Synthesis and Antifungal Activity of Novel Bis(dithiocarbamate) Derivatives of Glycerol

  摘要：

  Three bis(dithiocarbamate) derivatives of glycerol were obtained in 30-95% yields by reaction of a dithiocarbamic acid salt with 1,3-dichloro-1,3-dideoxyglycerol. The in vitro antifungal activity of the new compounds was evaluated against Alternaria brassicae, Pseudocercosporella herpotrichoides, Septoria nodorum, and Phytophtora cinnamomi. Some of the compounds displayed greater activity than commercial fungicides. Bis(N,N-diethyldithiacarbamoyl)-1,3-dideoxyglycerol (4) was found to maintain its pesticidal activity up to 24 days in open field tests against A. brassicae.

  DOI：

  10.1021/jf950751y