O-(4-fluorophenyl), O-methyl, O-(Z-[1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethylidene]amino) phosphorothioate | 1240409-96-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫代磷酸及其衍生物
• 英文名称: O-(4-fluorophenyl), O-methyl, O-(Z-[1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethylidene]amino) phosphorothioate
• 英文别名: (Z)-N-[(4-fluorophenoxy)-methoxyphosphinothioyl]oxy-1-phenyl-2-(1,2,4-triazol-1-yl)ethanimine
• CAS: 1240409-96-4
• 化学式: C₁₇H₁₆FN₄O₃PS
• 分子量: 406.377
• InChiKey: DWTYUPPVRYSBFB-HEHNFIMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  、 1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone oxime 在 sodium hydroxide 作用下， 以 乙腈 为溶剂， 以89%的产率得到O-(4-fluorophenyl), O-methyl, O-(Z-[1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethylidene]amino) phosphorothioate
  参考文献：
  名称：

  Synthesis and Biological Activities of O-Alkyl, O-Aryl, O-{Z-[1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethylidene]amino} Phosphorothioates

  摘要：

  A series of title compounds 2 were efficiently synthesized via the condensation of 1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone oxime with various asymmetric thiophosphoryl chlorides in sodium hydroxide powder and acetonitrile system. The structures of title compounds 2 were confirmed by IR, (1)H NMR, (31)P NMR, EI-MS, and elemental analysis. The results of preliminary bioassays indicated that the title compounds 2 possessed good to moderate insecticidal activity against aphides at the dosage of 250 mg/L, and some of them exhibited moderate fungicidal activities at the concentration of 100 mg/L.

  DOI：

  10.1080/10426500802454102

文献信息

• Synthesis and Biological Activities of <i>O</i>-Alkyl, <i>O</i>-Aryl, <i>O</i>-{Z-[1-Phenyl-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethylidene]amino} Phosphorothioates
  作者：Liu Meng、De-Qing Shi

  DOI：10.1080/10426500802454102

  日期：2009.9.18

  A series of title compounds 2 were efficiently synthesized via the condensation of 1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone oxime with various asymmetric thiophosphoryl chlorides in sodium hydroxide powder and acetonitrile system. The structures of title compounds 2 were confirmed by IR, (1)H NMR, (31)P NMR, EI-MS, and elemental analysis. The results of preliminary bioassays indicated that the title compounds 2 possessed good to moderate insecticidal activity against aphides at the dosage of 250 mg/L, and some of them exhibited moderate fungicidal activities at the concentration of 100 mg/L.