2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-1-methylsulfanyl-3-(1,2,4-triazol-1-yl)propan-2-ol | 1159001-25-8

• 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: 2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-1-methylsulfanyl-3-(1,2,4-triazol-1-yl)propan-2-ol
• CAS: 1159001-25-8
• 化学式: C₁₈H₁₇Cl₂N₃O₂S
• 分子量: 410.324
• InChiKey: AXYCAAREUWCJBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  85.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  甲硫醇 、 1-((2-(2-chloro-4-(4-chlorophenoxy)phenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以90.5%的产率得到2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-1-methylsulfanyl-3-(1,2,4-triazol-1-yl)propan-2-ol
  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

文献信息

• Synthesis and Fungicidal Evaluation of 2-Arylphenyl Ether-3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol Derivatives
  作者：Guan-Ping Yu、Liang-Zhong Xu、Xu Yi、Wen-Zhao Bi、Qi Zhu、Zhi-Wei Zhai

  DOI：10.1021/jf900222s

  日期：2009.6.10

  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.