2-hydroxy-N-(3-methoxy-4-(prop-2-yn-1-yloxy)phenethyl)-2-(thiophen-2-yl)acetamide | 1100612-24-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-hydroxy-N-(3-methoxy-4-(prop-2-yn-1-yloxy)phenethyl)-2-(thiophen-2-yl)acetamide
• CAS: 1100612-24-5
• 化学式: C₁₈H₁₉NO₄S
• 分子量: 345.419
• InChiKey: QZPSVICZLHWSDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.16
• 重原子数：
  24.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  67.79
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-hydroxy-N-(3-methoxy-4-(prop-2-yn-1-yloxy)phenethyl)-2-(thiophen-2-yl)acetamide 、 3-溴丙炔 在 sodium hydroxide 、 四丁基溴化铵 作用下， 以 二氯甲烷 、 水 、 甲苯 为溶剂， 生成 N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-prop-2-ynoxy-2-thiophen-2-ylacetamide
  参考文献：
  名称：

  Multicomponent reactions in fungicide research: The discovery of mandipropamid

  摘要：

  Isocyanide-based multicomponent reactions of the Ugi- and Passerini-type have been valuable tools for the rapid exploration of the novel fungicidal compound classes of phenylglycinamides and mandelamides. Mandipropamid (6), which was discovered during this derivatisation, displays excellent activity against the economically important phytopathogens Phytophthora infestans (potato and tomato late blight) and Plasmopara viticola (grape downy mildew). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.10.019
• 作为产物：
  描述：

  2-噻吩甲醛 、 N-[2-(3-methoxy-4-(prop-2-ynyloxy)phenyl)ethyl]formamide 在 三光气 、 三乙胺 、 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 生成 2-hydroxy-N-(3-methoxy-4-(prop-2-yn-1-yloxy)phenethyl)-2-(thiophen-2-yl)acetamide
  参考文献：
  名称：

  Multicomponent reactions in fungicide research: The discovery of mandipropamid

  摘要：

  Isocyanide-based multicomponent reactions of the Ugi- and Passerini-type have been valuable tools for the rapid exploration of the novel fungicidal compound classes of phenylglycinamides and mandelamides. Mandipropamid (6), which was discovered during this derivatisation, displays excellent activity against the economically important phytopathogens Phytophthora infestans (potato and tomato late blight) and Plasmopara viticola (grape downy mildew). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.10.019