ethyl 1,3,3-trichloro-2-oxocyclohexane-1-carboxylate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 1,3,3-trichloro-2-oxocyclohexane-1-carboxylate
• 化学式: C₉H₁₁Cl₃O₃
• 分子量: 273.544
• InChiKey: VFKVCIYCHGSJLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  ethyl 1,3,3-trichloro-2-(isopropylimino)cyclohexanecarboxylate 在 水 、 草酸 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 以82%的产率得到ethyl 1,3,3-trichloro-2-oxocyclohexane-1-carboxylate
  参考文献：
  名称：

  Synthesis of 3-chloroanthranilates from α,γ,γ-trichloro-β-iminoesters

  摘要：

  3-Chloroanthranilates have been prepared by a short pathway involving dehydrohalogenation of alpha,gamma,gamma -trichloro-beta -iminoesters, which were obtained by trihalogenation of the corresponding enaminoesters. This route opens the way to a number of previously unknown functionalised anthranilates, which are potential starting materials for a variety of heterocyclic and biologically interesting compounds. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00750-5

文献信息

• Synthesis of 3-chloroanthranilates from α,γ,γ-trichloro-β-iminoesters
  作者：Christian V Stevens、Bart Kesteleyn、Erick Rosas Alonso、Norbert De Kimpe

  DOI：10.1016/s0040-4020(01)00750-5

  日期：2001.9

  3-Chloroanthranilates have been prepared by a short pathway involving dehydrohalogenation of alpha,gamma,gamma -trichloro-beta -iminoesters, which were obtained by trihalogenation of the corresponding enaminoesters. This route opens the way to a number of previously unknown functionalised anthranilates, which are potential starting materials for a variety of heterocyclic and biologically interesting compounds. (C) 2001 Elsevier Science Ltd. All rights reserved.

表征谱图