N-{3-ethyl-5-[(E)-3-(4-fluorophenyl)acryloyl]-1,3,5-oxadiazinan-4-ylidene}nitramide | 1237740-38-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: N-{3-ethyl-5-[(E)-3-(4-fluorophenyl)acryloyl]-1,3,5-oxadiazinan-4-ylidene}nitramide
• CAS: 1237740-38-3
• 化学式: C₁₄H₁₅FN₄O₄
• 分子量: 322.296
• InChiKey: WZFIIUIIKVCDPB-JENRKBSESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.48
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  88.28
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  对氟苯甲醛 在 哌啶 、 吡啶 、 氯化亚砜 作用下， 以 乙腈 为溶剂， 反应 17.0h， 生成 N-{3-ethyl-5-[(E)-3-(4-fluorophenyl)acryloyl]-1,3,5-oxadiazinan-4-ylidene}nitramide
  参考文献：
  名称：

  Design, Synthesis, and Insecticidal Activity of 1,5-Diphenyl-1-pentanone Analogues

  摘要：

  AbstractThree series of novel 1,5‐diphenyl‐1‐pentanone derivatives were designed and synthesized. Their structures were characterized by IR, 1H NMR techniques, and elemental analysis. The insecticidal activities of the new compounds were preliminarily evaluated. The bioassay results indicated that the compounds X11–X30 displayed better aphicidal activity against Aphis gossypii than compounds X1–X10 and the lead compound (E)‐1,5‐diphenyl‐1‐penten‐1‐one (A). The inhibitory rates of compounds X6 and X29 were 100% against Plutella xylostella (L.) at 600 mg·L−1. Compounds X12, X13, X19, X24, X25, X26 and X27 showed higher insecticidal activity against Tetranychus cinnabarinus (Boisduval) at 600 mg·L−1 than the lead compound (A).

  DOI：

  10.1002/cjoc.201180409