ethyl 4-oxo-4-(phenylamino)butanoate | 17722-43-9

• 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: ethyl 4-oxo-4-(phenylamino)butanoate
• 英文别名: 3-Phenylcarbamoyl-propionsaeure-aethylester；N-phenyl-succinamic acid ethyl ester；Bernsteinsaeure-aethylester-anilid；N-Phenyl-succinamidsaeure-aethylester；Succinanilsaeure-aethylester；Ethyl 4-anilino-4-oxobutanoate
• CAS: 17722-43-9
• 化学式: C₁₂H₁₅NO₃
• mdl: MFCD02672792
• 分子量: 221.256
• InChiKey: UFNUADZXPXJYBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 4-oxo-4-(phenylamino)butanoate 生成 N-苯丁二醯亞胺
  参考文献：
  名称：

  Ruggli, Justus Liebigs Annalen der Chemie, 1917, vol. 412, p. 8

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl (Z)-4-oxo-4-(phenylamino)but-2-enoate 在 magnesium 作用下， 以 甲醇 为溶剂， 生成 ethyl 4-oxo-4-(phenylamino)butanoate
  参考文献：
  名称：

  Kumar, Padam Praveen; Reddy, Y. Dathu; Kumari, Y. Bharathi, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2014, vol. 53, # 4, p. 392 - 398

  摘要：

  DOI：

文献信息

• Kumar, Padam Praveen; Rama Devi; Dubey, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2013, vol. 52, # 8, p. 1166 - 1171
  作者：Kumar, Padam Praveen、Rama Devi、Dubey

  DOI：——

  日期：——
• Microwave-promoted direct amidation of unactivated esters catalyzed by heteropolyanion-based ionic liquids under solvent-free conditions
  作者：Renzhong Fu、Yang Yang、Yunsheng Ma、Fei Yang、Jingjing Li、Wen Chai、Quan Wang、Rongxin Yuan

  DOI：10.1016/j.tetlet.2015.05.118

  日期：2015.7

  A simple and efficient procedure for the synthesis of amides directly from unactivated esters and amines catalyzed by heteropolyanion-based ionic liquids under microwave-promoted and solvent-free conditions has been reported. The practical protocol was found to be compatible with different structurally diverse substrates. Moderate to excellent yields, solvent-free media, and operational simplicity are the main highlights. Furthermore, the heteropolyanion-based ionic liquids were easily reusable for this amidation. (C) 2015 Elsevier Ltd. All rights reserved.
• Verma, Raman K., Journal of the Indian Chemical Society, 1992, vol. 69, # 10, p. 683 - 684
  作者：Verma, Raman K.

  DOI：——

  日期：——
• Petjunin; Panferowa, Zhurnal Obshchei Khimii, 1951, vol. 21, p. 1533,1535
  作者：Petjunin、Panferowa

  DOI：——

  日期：——
• WO2007/29021
  申请人：——

  公开号：——

  公开（公告）日：——