2-(3-oxodecanoyl)pyrrole | 217461-38-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(3-oxodecanoyl)pyrrole
• CAS: 217461-38-6
• 化学式: C₁₄H₂₁NO₂
• 分子量: 235.326
• InChiKey: SFQOGRVHOABHHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.52
• 重原子数：
  17.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  49.93
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-(3-oxodecanoyl)pyrrole 、 碘甲烷 在 sodium hydride 作用下， 生成 2-(2-methyl-3-oxodecanoyl)pyrrole
  参考文献：
  名称：

  Isolation of N-(2-Methyl-3-oxodecanoyl)pyrrole and N-(2-Methyl-3-oxodec-8-enoyl)pyrrole, Two New Natural Products from Penicillium brevicompactum, and Synthesis of Analogues with Insecticidal and Fungicidal Activity

  摘要：

  Two new natural products have been isolated from culture broth of Penicillium brevicompactum Dierckx. The structures have be en assigned as N-(2-methyl-3-oxodecanoyl)pyrrole and N-(2-methyl-3-oxodec-8-enoyl)pyrrole on the basis of spectral data. Synthesis of analogues has been carried out by acylation of the pyrrole ring at Ct with different acylated Meldrum's acids. Two analogues (6b and 7b) have shown interesting insecticidal activities, and three other ones (6a, 6c, and 7a) have exhibited significant broad-spectrum fungicidal activities. These synthetic products might be considered as a starting point in the search for new pesticides.

  DOI：

  10.1021/jf9800763
• 作为产物：
  描述：

  辛酰氯 、 alkaline earth salt of/the/ methylsulfuric acid 在 吡啶 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 17.0h， 生成 2-(3-oxodecanoyl)pyrrole
  参考文献：
  名称：

  Isolation of N-(2-Methyl-3-oxodecanoyl)pyrrole and N-(2-Methyl-3-oxodec-8-enoyl)pyrrole, Two New Natural Products from Penicillium brevicompactum, and Synthesis of Analogues with Insecticidal and Fungicidal Activity

  摘要：

  Two new natural products have been isolated from culture broth of Penicillium brevicompactum Dierckx. The structures have be en assigned as N-(2-methyl-3-oxodecanoyl)pyrrole and N-(2-methyl-3-oxodec-8-enoyl)pyrrole on the basis of spectral data. Synthesis of analogues has been carried out by acylation of the pyrrole ring at Ct with different acylated Meldrum's acids. Two analogues (6b and 7b) have shown interesting insecticidal activities, and three other ones (6a, 6c, and 7a) have exhibited significant broad-spectrum fungicidal activities. These synthetic products might be considered as a starting point in the search for new pesticides.

  DOI：

  10.1021/jf9800763