N,N'-bis(3-(3-nitrobenzamido)phenyl)urea | 1160839-62-2

• 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: N,N'-bis(3-(3-nitrobenzamido)phenyl)urea
• 英文别名: 3-nitro-N-[3-[[3-[(3-nitrobenzoyl)amino]phenyl]carbamoylamino]phenyl]benzamide
• CAS: 1160839-62-2
• 化学式: C₂₇H₂₀N₆O₇
• 分子量: 540.492
• InChiKey: HUYZXNIXTRGTLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  191
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N,N'-bis(3-(3-nitrobenzamido)phenyl)urea 在 5%-palladium/activated carbon 、 氢气 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 以91%的产率得到N,N'-bis(3-(3-aminobenzamido)phenyl)urea
  参考文献：
  名称：

  An ‘inside-out’ approach to suramin analogues

  摘要：

  An approach to the synthesis of suramin analogues has been realised, which avoids synthetic problems associated with conventional routes. The use of isobutyl ester protecting groups for sulfonic acids was crucial to the success of the strategy, because these were able to be cleanly deprotected with sodium iodide, yielding the sodium salts of the corresponding sulfonic acids. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.03.033
• 作为产物：
  描述：

  N,N'-二(3-氨基苯基)脲 、 间硝基苯甲酰氯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以1.54 g的产率得到N,N'-bis(3-(3-nitrobenzamido)phenyl)urea
  参考文献：
  名称：

  An ‘inside-out’ approach to suramin analogues

  摘要：

  An approach to the synthesis of suramin analogues has been realised, which avoids synthetic problems associated with conventional routes. The use of isobutyl ester protecting groups for sulfonic acids was crucial to the success of the strategy, because these were able to be cleanly deprotected with sodium iodide, yielding the sodium salts of the corresponding sulfonic acids. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.03.033

文献信息

• An ‘inside-out’ approach to suramin analogues
  作者：Ross P. McGeary、Andrew J. Bennett、Quoc B. Tran、Johannes Prins、Benjamin P. Ross

  DOI：10.1016/j.tet.2009.03.033

  日期：2009.5

  An approach to the synthesis of suramin analogues has been realised, which avoids synthetic problems associated with conventional routes. The use of isobutyl ester protecting groups for sulfonic acids was crucial to the success of the strategy, because these were able to be cleanly deprotected with sodium iodide, yielding the sodium salts of the corresponding sulfonic acids. (C) 2009 Elsevier Ltd. All rights reserved.