5-bromo-3-[(cyclohexylamino)carbonyl]-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-yl benzoate | 1417509-74-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-bromo-3-[(cyclohexylamino)carbonyl]-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-yl benzoate
• 英文别名: [5-Bromo-3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate；[5-bromo-3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate
• CAS: 1417509-74-0
• 化学式: C₂₄H₂₅BrN₂O₄
• 分子量: 485.377
• InChiKey: MRJHJBAERNCZKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  75.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  异氰环已烷 、 苯甲酸 、 5-溴-1-乙基-1H-吲哚-2,3-二酮 以 乙腈 为溶剂， 反应 6.0h， 以96%的产率得到5-bromo-3-[(cyclohexylamino)carbonyl]-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-yl benzoate
  参考文献：
  名称：

  A novel and efficient synthesis of 3,3-disubstituted indol-2-ones via Passerini three-component reactions in the presence of 4Å molecular sieves

  摘要：

  The Passerini coupling of cyclohexylisocyanide with isatins and carboxylic acids in the presence of 4 angstrom molecular sieves is described. This process offers a highly efficient and atom-economic access to 3-acyloxy-3-carboxamido-1,3-dihydro-2H-indol-2-ones in high to excellent yields. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.025

文献信息

• A novel and efficient synthesis of 3,3-disubstituted indol-2-ones via Passerini three-component reactions in the presence of 4Å molecular sieves
  作者：Abbas Ali Esmaeili、Saeid Amini Ghalandarabad、Saeideh Jannati

  DOI：10.1016/j.tetlet.2012.11.025

  日期：2013.1

  The Passerini coupling of cyclohexylisocyanide with isatins and carboxylic acids in the presence of 4 angstrom molecular sieves is described. This process offers a highly efficient and atom-economic access to 3-acyloxy-3-carboxamido-1,3-dihydro-2H-indol-2-ones in high to excellent yields. (C) 2012 Elsevier Ltd. All rights reserved.