1-({2-[(1-benzylcarbamoyl-cyclohexyl)-p-tolyl-amino]-3,4-dioxo-cyclobut-1-enyl}-p-tolyl-amino)-cyclohexanecarboxylic acid N-benzylamide | 1354375-67-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-({2-[(1-benzylcarbamoyl-cyclohexyl)-p-tolyl-amino]-3,4-dioxo-cyclobut-1-enyl}-p-tolyl-amino)-cyclohexanecarboxylic acid N-benzylamide
• 英文别名: N-benzyl-1-(N-[2-(N-[1-(benzylcarbamoyl)cyclohexyl]-4-methylanilino)-3,4-dioxocyclobuten-1-yl]-4-methylanilino)cyclohexane-1-carboxamide
• CAS: 1354375-67-9
• 化学式: C₄₆H₅₀N₄O₄
• 分子量: 722.927
• InChiKey: HRFNHWUAPGHVTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  54
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  98.8
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  苄异腈 、 环己酮 、 乙烷,三氯氟- 、 方酸 以 甲醇 为溶剂， 反应 0.83h， 以40%的产率得到1-({2-[(1-benzylcarbamoyl-cyclohexyl)-p-tolyl-amino]-3,4-dioxo-cyclobut-1-enyl}-p-tolyl-amino)-cyclohexanecarboxylic acid N-benzylamide
  参考文献：
  名称：

  Squaric acid is a suitable building-block in 4C-Ugi reaction: access to original bivalent compounds

  摘要：

  The 4C-Ugi reaction requires an acidic component as one of the building-blocks. We report here the first use of squaric acid for this reaction to access original symmetrical compounds. The scope and conditions of the reaction were explored. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.11.077

文献信息

• Squaric acid is a suitable building-block in 4C-Ugi reaction: access to original bivalent compounds
  作者：Karen Aknin、Marion Gauriot、Jane Totobenazara、Noemie Deguine、Rebecca Deprez-Poulain、Benoit Deprez、Julie Charton

  DOI：10.1016/j.tetlet.2011.11.077

  日期：2012.1

  The 4C-Ugi reaction requires an acidic component as one of the building-blocks. We report here the first use of squaric acid for this reaction to access original symmetrical compounds. The scope and conditions of the reaction were explored. (C) 2011 Elsevier Ltd. All rights reserved.