4-methyl-N-(4-(2-(3-(trifluoromethyl)phenoxy)thiazol-5-yl)but-3-yn-2-yl)benzamide | 1354526-48-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-methyl-N-(4-(2-(3-(trifluoromethyl)phenoxy)thiazol-5-yl)but-3-yn-2-yl)benzamide
• 英文别名: 4-methyl-N-[4-[2-[3-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]but-3-yn-2-yl]benzamide
• CAS: 1354526-48-9
• 化学式: C₂₂H₁₇F₃N₂O₂S
• 分子量: 430.45
• InChiKey: VIBJGLJFPVTVKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  79.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  对甲基苯甲酰氯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 4-methyl-N-(4-(2-(3-(trifluoromethyl)phenoxy)thiazol-5-yl)but-3-yn-2-yl)benzamide
  参考文献：
  名称：

  Synthesis and Bioactivities of NovelN-(4-(2-Aryloxythiazol-5-yl)but-3-yn-2-yl)benzamides

  摘要：

  AbstractA series of novel N‐(4‐(2‐aryloxythiazol‐5‐yl)but‐3‐yn‐2‐yl)benzamide derivatives were designed and synthesized. Their structures were identified by 1H NMR and elemental analyses. Preliminary bioassays indicated that some title compounds provided >80% control of Sclerotinia sclerotiorum at 50 µg/mL and >70% herbicidal activities against B. campestris at 100 µg/mL. Their structure‐activities relationships were also discussed.

  DOI：

  10.1002/cjoc.201200824

文献信息

• Synthesis and Bioactivities of Novel<i>N</i>-(4-(2-Aryloxythiazol-5-yl)but-3-yn-2-yl)benzamides
  作者：Youquan Zhu、Pei Liu、Danyang Wang、Jin Zhang、Jie Cheng、Yuan Ma、Xiaomao Zou、Huazheng Yang

  DOI：10.1002/cjoc.201200824

  日期：2013.2

  AbstractA series of novel N‐(4‐(2‐aryloxythiazol‐5‐yl)but‐3‐yn‐2‐yl)benzamide derivatives were designed and synthesized. Their structures were identified by 1H NMR and elemental analyses. Preliminary bioassays indicated that some title compounds provided >80% control of Sclerotinia sclerotiorum at 50 µg/mL and >70% herbicidal activities against B. campestris at 100 µg/mL. Their structure‐activities relationships were also discussed.