1-benzyl-3-cyano-5-nitro-2-oxoindolin-3-yl benzoate | 1401332-83-9

• 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: 1-benzyl-3-cyano-5-nitro-2-oxoindolin-3-yl benzoate
• 英文别名: (1-Benzyl-3-cyano-5-nitro-2-oxoindol-3-yl) benzoate；(1-benzyl-3-cyano-5-nitro-2-oxoindol-3-yl) benzoate
• CAS: 1401332-83-9
• 化学式: C₂₃H₁₅N₃O₅
• 分子量: 413.389
• InChiKey: HUKZROVBIHFZLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  苯甲酰腈 、 1-benzyl-5-nitro-1H-indole-2,3-dione 以 乙腈 为溶剂， 反应 1.0h， 生成 1-benzyl-3-cyano-5-nitro-2-oxoindolin-3-yl benzoate
  参考文献：
  名称：

  An efficient synthesis of 3-cyano-3-benzoyloxyoxindoles via cyanoacylation of isatins in the presence of 4Å molecular sieves

  摘要：

  In the presence of 4 angstrom molecular sieves in CH3CN, a process for the cyanobenzoylation and cyanocarbonylation of isatins with benzoycyanides and ethylcyanoformate under mild reaction conditions has been developed. This approach provides easy access to a wide range of 3-cyano-3-benzoyloxyoxindoles and 3-cyano-3-ethoxycarbonyloxyoxindoles in good to excellent yields. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.08.014

文献信息

• An efficient synthesis of 3-cyano-3-benzoyloxyoxindoles via cyanoacylation of isatins in the presence of 4Å molecular sieves
  作者：Abbas Ali Esmaeili、Saeid Amini Ghalandarabad、Mahdieh Zangouei

  DOI：10.1016/j.tetlet.2012.08.014

  日期：2012.10

  In the presence of 4 angstrom molecular sieves in CH3CN, a process for the cyanobenzoylation and cyanocarbonylation of isatins with benzoycyanides and ethylcyanoformate under mild reaction conditions has been developed. This approach provides easy access to a wide range of 3-cyano-3-benzoyloxyoxindoles and 3-cyano-3-ethoxycarbonyloxyoxindoles in good to excellent yields. (C) 2012 Elsevier Ltd. All rights reserved.