1-((2-(2-chloro-4-(4-chlorophenoxy)phenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole | 930581-43-4

• 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-(2-chloro-4-(4-chlorophenoxy)phenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole
• CAS: 930581-43-4
• 化学式: C₁₇H₁₃Cl₂N₃O₂
• 分子量: 362.215
• InChiKey: PSBMPKWAJRJXME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  52.47
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1-((2-(2-chloro-4-(4-chlorophenoxy)phenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole 在 水 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以43.5%的产率得到2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propane-1,2-diol
  参考文献：
  名称：

  Synthesis and Fungicidal Evaluation of 2-Arylphenyl Ether-3-(1H-1,2,4-triazol-1-yl)propan-2-ol Derivatives

  摘要：

  A series of novel 2-arylphenyl ether-3-(1H-1,2,4-triazol-1-yl)propan-2-ol derivatives were designed and synthesized as candidate fungicides. The new compounds were identified by H-1 NMR spectroscopy and element analysis. Their antifungal activities were evaluated. They exhibited excellent antifungal activities against five common pathogens in comparison with the commercial fungicides tebuconazole and difenoconazole. The antifungal activities of three new triazole alcohol compounds were compared with those of tebuconazole and difenoconazole at a concentration of 1 mu g/mL.

  DOI：

  10.1021/jf900222s
• 作为产物：
  描述：

  1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)ethanone 、 三甲基碘化亚砜 在 苄基三乙基氯化铵 、 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 反应 4.0h， 以80%的产率得到1-((2-(2-chloro-4-(4-chlorophenoxy)phenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole
  参考文献：
  名称：

  Synthesis and Fungicidal Evaluation of 2-Arylphenyl Ether-3-(1H-1,2,4-triazol-1-yl)propan-2-ol Derivatives

  摘要：

  A series of novel 2-arylphenyl ether-3-(1H-1,2,4-triazol-1-yl)propan-2-ol derivatives were designed and synthesized as candidate fungicides. The new compounds were identified by H-1 NMR spectroscopy and element analysis. Their antifungal activities were evaluated. They exhibited excellent antifungal activities against five common pathogens in comparison with the commercial fungicides tebuconazole and difenoconazole. The antifungal activities of three new triazole alcohol compounds were compared with those of tebuconazole and difenoconazole at a concentration of 1 mu g/mL.

  DOI：

  10.1021/jf900222s