[(Z)-[3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ylidene]amino] 2,4-dimethyl-1,3-thiazole-5-carboxylate | 1388149-72-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [(Z)-[3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ylidene]amino] 2,4-dimethyl-1,3-thiazole-5-carboxylate
• CAS: 1388149-72-1
• 化学式: C₁₄H₁₉N₅O₂S
• 分子量: 321.403
• InChiKey: JOZSLTSQRPXJKV-WOJGMQOQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3,3-二甲基-1-(1H-1,2,4-三唑-1-基)丁-2-酮 在 盐酸羟胺 、 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 氯仿 、 水 为溶剂， 生成 [(Z)-[3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ylidene]amino] 2,4-dimethyl-1,3-thiazole-5-carboxylate
  参考文献：
  名称：

  Synthesis and Fungicidal Activity of(1Z, 3Z)-4,4-Dimethyl-1-substitutedphenyl-2-(1H-1,2,4-triazol-1-yl)-pent-1-en-3-oneO-[2,4-dimethylthiazole(or 4-methyl-1,2,3-thiadiazole)]-5-carbonyl Oximes

  摘要：

  A series of novel (Z)‐1‐tert‐butyl (or phenyl)‐2‐(1H‐1,2,4‐triazol‐1‐yl)‐ethanoneO‐[2,4‐dimethylthiazole (or 4‐methyl‐1,2,3‐thiadiazole) −5‐carbonyl] oximes5a–5cand (1Z, 3Z)‐4,4‐dimethyl‐1‐substitutedphenyl‐2‐(1H‐1,2,4‐triazol‐1‐yl)‐pent‐1‐en‐3‐oneO‐[2,4‐dimethylthiazole (or 4‐methyl‐1,2,3‐thiadiazole)‐5‐carbonyl] oximes6a–6ewere synthesized by the condensations of (Z)‐1‐tert‐butyl (or phenyl)‐2‐(1H‐1,2,4‐triazol‐1‐yl)‐ethanone oximes3or (1Z, 3Z)‐4,4‐dimethyl‐1‐substitutedphenyl‐2‐(1H‐1,2,4‐triazol‐1‐yl)‐pent‐1‐en‐3‐one oximes4with 2,4‐dimethylthiazole‐5‐carbonyl chloride or 4‐methyl‐1,2,3‐thiadiazole‐5‐carbonyl chloride in the basic condition. Their structures were confirmed by IR,1H NMR, mass spectroscopy, and elemental analyses. The results of preliminary bioassays showed the title compounds5and6exhibited moderate to good fungicidal activities. For example, compound6cpossessed 86.4% inhibition againstFusarium oxysporum, and compound6bexhibited 86.4 and 100% inhibition againstFusarium oxysporumandCercospora arachidicola Horiat the concentration of 50 mg/L, respectively.

  DOI：

  10.1002/jhet.783