N-[1-[(6-chloropyridin-3-yl)methyl]-3-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-ylmethyl)imidazolidin-2-ylidene]nitramide | 1169942-41-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-[1-[(6-chloropyridin-3-yl)methyl]-3-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-ylmethyl)imidazolidin-2-ylidene]nitramide
• CAS: 1169942-41-9
• 化学式: C₂₆H₃₄ClN₅O₈
• 分子量: 580.038
• InChiKey: BFTMKZZDJKJWGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.44
• 重原子数：
  40.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  130.25
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  2-氯-5-氯甲基吡啶 、 N-(1-((2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecin-18-yl)methyl)imidazolidin-2-ylidene)nitramide 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以45%的产率得到N-[1-[(6-chloropyridin-3-yl)methyl]-3-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-ylmethyl)imidazolidin-2-ylidene]nitramide
  参考文献：
  名称：

  Crown-capped imidacloprid: A novel design and insecticidal activity

  摘要：

  Imidacloprid (IMI) derivatives conjugated with benzo-15-crown-5 and benzo-18-crown-6 structures, applied for the first time to explore novel insecticidal molecule, elicited strong excitatory toxic signs to the house flies and stunningly exhibited three to five times higher insecticidal activity than that of the parent IMI, yet the two benzo-crown structures themselves had no effect. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.053

文献信息

• Crown-capped imidacloprid: A novel design and insecticidal activity
  作者：Shinzo Kagabu、Masaru Takagi、Ikuya Ohno、Tsuyoshi Mikawa、Toru Miyamoto

  DOI：10.1016/j.bmcl.2009.04.053

  日期：2009.6

  Imidacloprid (IMI) derivatives conjugated with benzo-15-crown-5 and benzo-18-crown-6 structures, applied for the first time to explore novel insecticidal molecule, elicited strong excitatory toxic signs to the house flies and stunningly exhibited three to five times higher insecticidal activity than that of the parent IMI, yet the two benzo-crown structures themselves had no effect. (C) 2009 Elsevier Ltd. All rights reserved.