1-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]carbamoylamino]phenyl]urea | 1448513-15-2

• 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-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]carbamoylamino]phenyl]urea
• CAS: 1448513-15-2
• 化学式: C₃₀H₃₄N₈O₂
• 分子量: 538.652
• InChiKey: CELQIVOBICFEOL-UIOOFZCWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  140
• 氢给体数：
  6
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  邻苯二胺 在 4-二甲氨基吡啶 、 溶剂黄146 、 N,N-二异丙基乙胺 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 33.5h， 生成 1-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]carbamoylamino]phenyl]urea
  参考文献：
  名称：

  l-Valine derived benzimidazole based bis-urea in enantioselective fluorescence sensing of L-tartrate

  摘要：

  L-Valine derived benzimidazole based bis-urea 1 has been designed and synthesized. The bis-urea 1 is found to act as enantioselective chemosensor for tartrate. The sensor shows greater fluorescence response for L-tartrate in DMSO. The enantiomeric fluorescence difference ratio (ef) has been determined to be 2.46. In comparison, less steric receptor 2 exhibits a marginal preference for D-tartrate over the L-tartrate in DMSO and validates the steric role of the substituents around the benzimidazole motif in 1 toward enantioselective recognition of tartrate. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.06.087

文献信息

• l-Valine derived benzimidazole based bis-urea in enantioselective fluorescence sensing of L-tartrate
  作者：Kumaresh Ghosh、Tanmay Sarkar

  DOI：10.1016/j.tetlet.2013.06.087

  日期：2013.8

  L-Valine derived benzimidazole based bis-urea 1 has been designed and synthesized. The bis-urea 1 is found to act as enantioselective chemosensor for tartrate. The sensor shows greater fluorescence response for L-tartrate in DMSO. The enantiomeric fluorescence difference ratio (ef) has been determined to be 2.46. In comparison, less steric receptor 2 exhibits a marginal preference for D-tartrate over the L-tartrate in DMSO and validates the steric role of the substituents around the benzimidazole motif in 1 toward enantioselective recognition of tartrate. (C) 2013 Elsevier Ltd. All rights reserved.