1-furfuryl-2-nitroimino-5-[4-chlorophenyl-ethoxycarbonylmethyl]-hexahydro-1,3,5-triazine

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-furfuryl-2-nitroimino-5-[4-chlorophenyl-ethoxycarbonylmethyl]-hexahydro-1,3,5-triazine
• 英文别名: ethyl (2S)-2-(4-chlorophenyl)-2-[(4E)-3-(furan-2-ylmethyl)-4-nitroimino-1,3,5-triazinan-1-yl]acetate
• 化学式: C₁₈H₂₀ClN₅O₅
• 分子量: 421.84
• InChiKey: ARGQZHQNVFFQQQ-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 Ethyl (2s)-2-amino-2-(4-chlorophenyl)acetate hydrochloride 、 1-furylmethyl-3-nitroguanidine 以 乙醇 、 水 为溶剂， 反应 24.0h， 以58%的产率得到1-furfuryl-2-nitroimino-5-[4-chlorophenyl-ethoxycarbonylmethyl]-hexahydro-1,3,5-triazine
  参考文献：
  名称：

  Optical Activity 1,5-Substituted-1,3,5-hexahydrotriazine-2-N-nitroimines: Synthesis and Insecticidal Activity

  摘要：

  Twelve novel neonicotinoid analogues 1‐(2‐furfuryl)‐5‐substituted‐1,3,5‐hexahydrotriazine‐2‐N‐nitroimines 3a, 3b, 3c, 3d, 3e, 3f, 3g, 3h, 3i, 3j, 3k, 3l were synthesized. Their structures were characterized by 1H NMR, IR, and elemental analysis. The preliminary bioassay tests showed that all the title compounds gave ≥90% mortality against Nilaparvata lugen 500 mg/L.

  DOI：

  10.1002/jhet.920

文献信息

• Optical Activity 1,5-Substituted-1,3,5-hexahydrotriazine-2-<i>N</i>-nitroimines: Synthesis and Insecticidal Activity
  作者：Si-Jia Xue、Hong-Fei Bu、Li Liu、Xiao Xu、XuBo Ma、Jun Zhu

  DOI：10.1002/jhet.920

  日期：2013.8

  Twelve novel neonicotinoid analogues 1‐(2‐furfuryl)‐5‐substituted‐1,3,5‐hexahydrotriazine‐2‐N‐nitroimines 3a, 3b, 3c, 3d, 3e, 3f, 3g, 3h, 3i, 3j, 3k, 3l were synthesized. Their structures were characterized by 1H NMR, IR, and elemental analysis. The preliminary bioassay tests showed that all the title compounds gave ≥90% mortality against Nilaparvata lugen 500 mg/L.