4-methoxybenzoylacetic acid N-(2-carboxyphenyl)amide | 834880-42-1

• 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-methoxybenzoylacetic acid N-(2-carboxyphenyl)amide
• 英文别名: 4-methoxybenzoylacetic acid o-carboxyanilide；Benzoic acid, 2-[[3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]-；2-[[3-(4-methoxyphenyl)-3-oxopropanoyl]amino]benzoic acid
• CAS: 834880-42-1
• 化学式: C₁₇H₁₅NO₅
• 分子量: 313.31
• InChiKey: DNWLOXQNIUBUOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-methoxybenzoylacetic acid N-(2-carboxyphenyl)amide 在 乙酸酐 作用下， 以 苯 为溶剂， 反应 2.0h， 以100%的产率得到2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)-1-ethenyl]-4H-3,1-benzoxazin-4-one
  参考文献：
  名称：

  Cyclization of aroylacetic acids 2-carboxyphenylamides into 2-[(Z)-2-aryl-2-hydroxy-1-ethenyl]-4H-3,1-benzoxazin-4-ones. Crystal and molecular structure of 2-[(Z)-2-hydroxy-2-phenyl-1-ethenyl]-4H-3,1-benzoxazin-4-one

  摘要：

  2-Carboxyphenylamides of aroylacetic acids undergo cyclization when treated with dehydrating agents to give 2-[(Z)-2-aryl-2-hydroxy-1-ethenyl]-4H-3,1-benzoxazin-4-ones. Crystal and molecular structure ofthe latter phenyl derivative was studied by X-ray crystal lography.

  DOI：

  10.1134/s1070428007020121
• 作为产物：
  描述：

  6-(4-methoxyphenyl)-2,2-dimethyl-4H-1,3-dioxin-4-one 、 邻氨基苯甲酸 以 xylene 为溶剂， 反应 0.25h， 以70%的产率得到4-methoxybenzoylacetic acid N-(2-carboxyphenyl)amide
  参考文献：
  名称：

  Cyclization of aroylacetic acids 2-carboxyphenylamides into 2-[(Z)-2-aryl-2-hydroxy-1-ethenyl]-4H-3,1-benzoxazin-4-ones. Crystal and molecular structure of 2-[(Z)-2-hydroxy-2-phenyl-1-ethenyl]-4H-3,1-benzoxazin-4-one

  摘要：

  2-Carboxyphenylamides of aroylacetic acids undergo cyclization when treated with dehydrating agents to give 2-[(Z)-2-aryl-2-hydroxy-1-ethenyl]-4H-3,1-benzoxazin-4-ones. Crystal and molecular structure ofthe latter phenyl derivative was studied by X-ray crystal lography.

  DOI：

  10.1134/s1070428007020121

文献信息

• Cyclization of o-Carboxyanilides of Aroylacetic Acids: a Route to a Novel Class of Heterocyclic Enamino Ketones
  作者：E. S. Vostrov、N. N. Mokhnatkina、O. M. Popova、M. V. Andrakovskiy、A. N. Maslivets

  DOI：10.1023/b:cohc.0000027902.24144.e0

  日期：2004.2
• Cyclization of aroylacetic acids 2-carboxyphenylamides into 2-[(Z)-2-aryl-2-hydroxy-1-ethenyl]-4H-3,1-benzoxazin-4-ones. Crystal and molecular structure of 2-[(Z)-2-hydroxy-2-phenyl-1-ethenyl]-4H-3,1-benzoxazin-4-one
  作者：E. S. Vostrov、A. A. Novikov、A. N. Maslivets、Z. G. Aliev

  DOI：10.1134/s1070428007020121

  日期：2007.2

  2-Carboxyphenylamides of aroylacetic acids undergo cyclization when treated with dehydrating agents to give 2-[(Z)-2-aryl-2-hydroxy-1-ethenyl]-4H-3,1-benzoxazin-4-ones. Crystal and molecular structure ofthe latter phenyl derivative was studied by X-ray crystal lography.