Ethyl 1-[(6-chloropyridin-3-yl)methyl]-2-oxocyclohexane-1-carboxylate | 218619-08-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Ethyl 1-[(6-chloropyridin-3-yl)methyl]-2-oxocyclohexane-1-carboxylate
• 英文别名: ethyl 1-[(6-chloropyridin-3-yl)methyl]-2-oxocyclohexane-1-carboxylate
• CAS: 218619-08-0
• 化学式: C₁₅H₁₈ClNO₃
• 分子量: 295.766
• InChiKey: BWCIKQQFWKWNEG-UHFFFAOYSA-N

物化性质

• 沸点：
  421.102±45.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.238±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  56.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 1-[(6-chloropyridin-3-yl)methyl]-2-oxocyclohexane-1-carboxylate 在 盐酸 作用下， 以 水 为溶剂， 以94%的产率得到2-(6-Chloro-pyridin-3-ylmethyl)-cyclohexanone
  参考文献：
  名称：

  Synthesis and insecticidal evaluation of imidacloprid analogs

  摘要：

  Imidacloprid analogues containing a nitroalkylidene instead of a nitroguanidine unit have been prepared and evaluated for investigation as potential insecticides. No nitroalkylidene analogue showed significant activity against the test insects. (C) 1998 Society of Chemical Industry.

  DOI：

  10.1002/(sici)1096-9063(1998110)54:3<304::aid-ps832>3.0.co;2-z
• 作为产物：
  描述：

  2-氯-5-氯甲基吡啶 、 2-环己酮甲酸乙酯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以73%的产率得到Ethyl 1-[(6-chloropyridin-3-yl)methyl]-2-oxocyclohexane-1-carboxylate
  参考文献：
  名称：

  Synthesis and insecticidal evaluation of imidacloprid analogs

  摘要：

  Imidacloprid analogues containing a nitroalkylidene instead of a nitroguanidine unit have been prepared and evaluated for investigation as potential insecticides. No nitroalkylidene analogue showed significant activity against the test insects. (C) 1998 Society of Chemical Industry.

  DOI：

  10.1002/(sici)1096-9063(1998110)54:3<304::aid-ps832>3.0.co;2-z

文献信息

• Synthesis and insecticidal evaluation of imidacloprid analogs
  作者：Jérome Boëlle、Raphaël Schneider、Philippe Gérardin、Bernard Loubinoux、Peter Maienfisch、Alfred Rindlisbacher

  DOI：10.1002/(sici)1096-9063(1998110)54:3<304::aid-ps832>3.0.co;2-z

  日期：1998.11

  Imidacloprid analogues containing a nitroalkylidene instead of a nitroguanidine unit have been prepared and evaluated for investigation as potential insecticides. No nitroalkylidene analogue showed significant activity against the test insects. (C) 1998 Society of Chemical Industry.