2,4-Dichloro-N-(1,1-dimethyl-prop-2-ynyl)-benzamide | 24911-41-9

• 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: 2,4-Dichloro-N-(1,1-dimethyl-prop-2-ynyl)-benzamide
• 英文别名: 2,4-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide
• CAS: 24911-41-9
• 化学式: C₁₂H₁₁Cl₂NO
• 分子量: 256.131
• InChiKey: VKMQTGXFJZQISB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,4-Dichloro-N-(1,1-dimethyl-prop-2-ynyl)-benzamide 、 5-Bromo-2-(3-fluorophenoxy)-1,3-thiazole 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， 以46%的产率得到N-(4-(2-(3-fluorophenoxy)thiazol-5-yl)-2-methylbut-3-yn-2-yl)-2,4-dichlorobenzamide
  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
• 作为产物：
  描述：

  2-甲基-3-丁炔-2-胺 、 2,4-二氯苯甲酰氯 在 三乙胺 作用下， 生成 2,4-Dichloro-N-(1,1-dimethyl-prop-2-ynyl)-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.