N-butyl-N'-(2-nitrophenyl)oxamide | 74527-53-0

• 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: N-butyl-N'-(2-nitrophenyl)oxamide
• CAS: 74527-53-0
• 化学式: C₁₂H₁₅N₃O₄
• 分子量: 265.269
• InChiKey: GBAGADAKUNOGSO-UHFFFAOYSA-N

物化性质

• 密度：
  1.285±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-butyl-N'-(2-nitrophenyl)oxamide 在 palladium on activated charcoal 硫酸 、 氢溴酸 、 氢气 、 硝酸 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.17h， 生成 (5-nitro-1H-benzimidazol-2-yl)-(4-benzyl-piperidin-1-yl)-methanone
  参考文献：
  名称：

  Benzimidazole-2-carboxamides as novel NR2B selective NMDA receptor antagonists

  摘要：

  A novel series of benzimidazole-2-carboxamide derivatives was prepared and identified as NR2B selective NMDA receptor antagonists. The influence of some structural elements, like H-bond donor groups placed on the benzimidazole skeleton and the substitution pattern of the piperidine ring, on the biological activity was studied. Compound 6a showed excellent analgetic activity in the mouse formalin test following po administration. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.002
• 作为产物：
  描述：

  2-硝基苯胺 在 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 10.0h， 生成 N-butyl-N'-(2-nitrophenyl)oxamide
  参考文献：
  名称：

  Benzimidazole-2-carboxamides as novel NR2B selective NMDA receptor antagonists

  摘要：

  A novel series of benzimidazole-2-carboxamide derivatives was prepared and identified as NR2B selective NMDA receptor antagonists. The influence of some structural elements, like H-bond donor groups placed on the benzimidazole skeleton and the substitution pattern of the piperidine ring, on the biological activity was studied. Compound 6a showed excellent analgetic activity in the mouse formalin test following po administration. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.002

文献信息

• Benzimidazole-2-carboxamides as novel NR2B selective NMDA receptor antagonists
  作者：István Borza、Sándor Kolok、Anikó Gere、József Nagy、László Fodor、Kornél Galgóczy、József Fetter、Ferenc Bertha、Béla Ágai、Csilla Horváth、Sándor Farkas、György Domány

  DOI：10.1016/j.bmcl.2006.06.002

  日期：2006.9

  A novel series of benzimidazole-2-carboxamide derivatives was prepared and identified as NR2B selective NMDA receptor antagonists. The influence of some structural elements, like H-bond donor groups placed on the benzimidazole skeleton and the substitution pattern of the piperidine ring, on the biological activity was studied. Compound 6a showed excellent analgetic activity in the mouse formalin test following po administration. (c) 2006 Elsevier Ltd. All rights reserved.