2,4,2',4'-tetrahydro-5,5'-butane-1,4-diyl-bis-[1,2,4]triazole-3-thione | 7271-37-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,4,2',4'-tetrahydro-5,5'-butane-1,4-diyl-bis-[1,2,4]triazole-3-thione
• 英文别名: 5-[4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)butyl]-1,2-dihydro-1,2,4-triazole-3-thione
• CAS: 7271-37-6
• 化学式: C₈H₁₂N₆S₂
• 分子量: 256.355
• InChiKey: ITMQNVHZZFXBRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  137
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  氯磷酸二乙酯 、 2,4,2',4'-tetrahydro-5,5'-butane-1,4-diyl-bis-[1,2,4]triazole-3-thione 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 60.0h， 以64%的产率得到[5-[4-(3-diethoxyphosphinothioylsulfanyl-1H-1,2,4-triazol-5-yl)butyl]-1H-1,2,4-triazol-3-yl]sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
  参考文献：
  名称：

  Efficacy of Organophosphorus Derivatives against Fungal Pathogens of Sugarcane

  摘要：

  Several novel oraganophosphorus derivatives have been prepared by the reactions of O,O-diethyl chlorophosphate/thiophosphate with three important series of heterocyclic compounds, viz., bis(mercaptotriazoles), bis(mercaptooxadiazoles), and bis(mercaptothiadiazoles). The derivatives have been characterized on the basis of analyses and spectral (IR, (1)H NMR, and (31)P NMR) data. The fungicidal activity of these derivatives against Colletotrichum falcatum, Fusarium oxysporum, and Curvularia pallescens have been evaluated. The screening results have been correlated with the structural features of the tested compounds. The greater potency has been observed with dithiophosphates compared to phosphates, with organophosphorus derivatives containing bis(mercaptotriazole) rings compared to other heterocyclic rings, and with long spacers between the rings.

  DOI：

  10.1021/jf970544t
• 作为产物：
  描述：

  己二酸 、 氨基硫脲 反应 1.0h， 以62%的产率得到2,4,2',4'-tetrahydro-5,5'-butane-1,4-diyl-bis-[1,2,4]triazole-3-thione
  参考文献：
  名称：

  A Facile Synthesis of Bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)alkanes and Bis(5-mercapto-4H-1,2,4-triazol-3-yl)alkanes

  摘要：

  描述了一种一步法简便合成双(4-氨基-5-巯基-1,2,4-三唑-3-基)烷烃 1a–d 和双(5-巯基-4H-1,2,4-三唑-3-基)烷烃 2a–d 的方法。

  DOI：

  10.1039/a808351g