diethyl 2-(1-(2-chloro-6-fluorophenyl)-2-nitroethyl)-malonate | 1448173-68-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: diethyl 2-(1-(2-chloro-6-fluorophenyl)-2-nitroethyl)-malonate
• 英文别名: Diethyl 2-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]propanedioate；diethyl 2-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]propanedioate
• CAS: 1448173-68-9
• 化学式: C₁₅H₁₇ClFNO₆
• 分子量: 361.754
• InChiKey: YOFSMZVKGQQJJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-(2-Chlor-6-fluorphenyl)-2-nitroaethylen 、 丙二酸二乙酯 在 三乙胺 、 calcium chloride 作用下， 反应 0.5h， 以95%的产率得到diethyl 2-(1-(2-chloro-6-fluorophenyl)-2-nitroethyl)-malonate
  参考文献：
  名称：

  Mechanosynthesis of γ-nitro dicarbonyl compounds via CaCl2-catalyzed Michael addition

  摘要：

  An efficient strategy for the mechanosynthesis of gamma-nitro dicarbonyl esters has been developed. A CaCl2-catalyzed Michael reaction, conducted at room temperature, afforded nitroalkenes from malonates in a short reaction time and in high yields. In most cases, polymerized side-reactions are eliminated or minimized. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.06.089

文献信息

• Mechanosynthesis of γ-nitro dicarbonyl compounds via CaCl2-catalyzed Michael addition
  作者：Chunman Jia、Da Chen、Chunyan Zhang、Qi Zhang、Bennan Cao、Zhendong Zhao

  DOI：10.1016/j.tet.2013.06.089

  日期：2013.9

  An efficient strategy for the mechanosynthesis of gamma-nitro dicarbonyl esters has been developed. A CaCl2-catalyzed Michael reaction, conducted at room temperature, afforded nitroalkenes from malonates in a short reaction time and in high yields. In most cases, polymerized side-reactions are eliminated or minimized. (C) 2013 Elsevier Ltd. All rights reserved.