ethyl 7-hydroxy-2-imino-2H-chromene-3-carboxylate | 13229-86-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: ethyl 7-hydroxy-2-imino-2H-chromene-3-carboxylate
• 英文别名: 7-hydroxy-2-imino-2H-chromene-3-carboxylic acid ethyl ester；Ethyl 7-hydroxy-2-iminochromene-3-carboxylate；ethyl 7-hydroxy-2-iminochromene-3-carboxylate
• CAS: 13229-86-2
• 化学式: C₁₂H₁₁NO₄
• 分子量: 233.224
• InChiKey: ZUEGFEHLXVDCJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  79.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 7-hydroxy-2-imino-2H-chromene-3-carboxylate 以 氘代二甲亚砜 为溶剂， 生成 trans-Ethyl-α-cyano-2,4-dihydroxy-cinnamate
  参考文献：
  名称：

  O'Callaghan, Conor N.; McMurry, T. Brian H.; O'Brien, John E., Journal of the Chemical Society. Perkin Transactions 2 (2001), 1998, # 2, p. 425 - 429

  摘要：

  DOI：
• 作为产物：
  描述：

  氰乙酸乙酯 、 2,4-二羟基苯甲醛 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以91%的产率得到ethyl 7-hydroxy-2-imino-2H-chromene-3-carboxylate
  参考文献：
  名称：

  Synthesis of new iminocoumarins and their transformations into N-chloro and hydrazono compounds

  摘要：

  The Knoevenagel reaction between 2-hydroxybenzaldehydes and active methylene compounds (malononitrile and ethyl cyanoacetate) produces iminocoumarins and/or coumarins. In order to study the reactivity of the prepared iminocoumarins, chlorination and reaction with N-nucleophiles were studied. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.05.020

文献信息

• Synthesis of new iminocoumarins and their transformations into N-chloro and hydrazono compounds
  作者：Julija Volmajer、Renata Toplak、Ivan Leban、Alenka Majcen Le Marechal

  DOI：10.1016/j.tet.2005.05.020

  日期：2005.7

  The Knoevenagel reaction between 2-hydroxybenzaldehydes and active methylene compounds (malononitrile and ethyl cyanoacetate) produces iminocoumarins and/or coumarins. In order to study the reactivity of the prepared iminocoumarins, chlorination and reaction with N-nucleophiles were studied. (c) 2005 Elsevier Ltd. All rights reserved.
• O'Callaghan, Conor N.; McMurry, T. Brian H.; O'Brien, John E., Journal of the Chemical Society. Perkin Transactions 2 (2001), 1998, # 2, p. 425 - 429
  作者：O'Callaghan, Conor N.、McMurry, T. Brian H.、O'Brien, John E.

  DOI：——

  日期：——