(Z)-3-(2-Phenoxy-phenylcarbamoyl)-acrylic acid | 544707-97-3

• 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: (Z)-3-(2-Phenoxy-phenylcarbamoyl)-acrylic acid
• 英文别名: (Z)-4-oxo-4-(2-phenoxyanilino)but-2-enoic acid
• CAS: 544707-97-3
• 化学式: C₁₆H₁₃NO₄
• 分子量: 283.284
• InChiKey: RPJXGBNRWSCLPW-KHPPLWFESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (Z)-3-(2-Phenoxy-phenylcarbamoyl)-acrylic acid 在 sodium acetate 、 乙酸酐 作用下， 生成 N-(2-phenyloxylphenyl)maleimide
  参考文献：
  名称：

  Shetgiri; Nayak, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005, vol. 44, # 9, p. 1933 - 1936

  摘要：

  DOI：
• 作为产物：
  描述：

  马来酸酐 、 2-氨基二苯醚 以 二氯甲烷 为溶剂， 反应 2.0h， 以2.4 g的产率得到(Z)-3-(2-Phenoxy-phenylcarbamoyl)-acrylic acid
  参考文献：
  名称：

  A Rigid Molecular Balance for Measuring Face-to-Face Arene−Arene Interactions

  摘要：

  A new molecular balance was developed to measure face-to-face arene-arene interactions. The balance adopts distinct folded and unfolded conformations due to restricted rotation about a C-aryl-N-imide bond. In the folded conformer, the rigid bicyclic framework enforces an offset face-to-face geometry to the exclusion of edge-to-face geometries, which was verified by X-ray crystallography. Measurement of the folded to unfolded ratio yields accurate values for the arene-arene interaction in a range of different solvents.

  DOI：

  10.1021/ol801286k

文献信息

• Shetgiri; Nayak, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005, vol. 44, # 9, p. 1933 - 1936
  作者：Shetgiri、Nayak

  DOI：——

  日期：——
• A Rigid Molecular Balance for Measuring Face-to-Face Arene−Arene Interactions
  作者：William R. Carroll、Perry Pellechia、Ken D. Shimizu

  DOI：10.1021/ol801286k

  日期：2008.8.21

  A new molecular balance was developed to measure face-to-face arene-arene interactions. The balance adopts distinct folded and unfolded conformations due to restricted rotation about a C-aryl-N-imide bond. In the folded conformer, the rigid bicyclic framework enforces an offset face-to-face geometry to the exclusion of edge-to-face geometries, which was verified by X-ray crystallography. Measurement of the folded to unfolded ratio yields accurate values for the arene-arene interaction in a range of different solvents.