4-Chloro-N-(4-methoxy-2-(1-methylene-2-oxo-propyl)phenyl)benzamide | 854078-33-4

• 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: 4-Chloro-N-(4-methoxy-2-(1-methylene-2-oxo-propyl)phenyl)benzamide
• 英文别名: 4-chloro-N-[4-methoxy-2-(3-oxobut-1-en-2-yl)phenyl]benzamide
• CAS: 854078-33-4
• 化学式: C₁₈H₁₆ClNO₃
• 分子量: 329.783
• InChiKey: VIIOOFMLCDKGFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  吲哚美辛 在 双氧水 作用下， 以 甲醇 、 水 、 乙腈 为溶剂， 反应 1.25h， 生成 4-Chloro-N-(4-methoxy-2-(1-methylene-2-oxo-propyl)phenyl)benzamide
  参考文献：
  名称：

  A novel oxidative degradation pathway of indomethacin under the stressing by hydrogen peroxide

  摘要：

  The structures of two oxidative degradation products of indomethacin were determined and their formation through a novel oxidative degradation mechanism is proposed. The synthesis of one of the degradation products is described. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.03.064

文献信息

• A novel oxidative degradation pathway of indomethacin under the stressing by hydrogen peroxide
  作者：Min Li、Beth Conrad、Russell G. Maus、Steven M. Pitzenberger、Raju Subramanian、Xueguang Fang、Jeffery A. Kinzer、Holly J. Perpall

  DOI：10.1016/j.tetlet.2005.03.064

  日期：2005.5

  The structures of two oxidative degradation products of indomethacin were determined and their formation through a novel oxidative degradation mechanism is proposed. The synthesis of one of the degradation products is described. (c) 2005 Elsevier Ltd. All rights reserved.