2-{(4-chlorobenzyl)-[2-hydroxy-2-(4-nitrophenyl)-ethyl]amino}-N-(2,6-dibromo-4-nitrophenyl)acetamide | 1060798-50-6

• 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: 2-{(4-chlorobenzyl)-[2-hydroxy-2-(4-nitrophenyl)-ethyl]amino}-N-(2,6-dibromo-4-nitrophenyl)acetamide
• 英文别名: N~2~-(4-chlorobenzyl)-N-(2,6-dibromo-4-nitrophenyl)-N~2~-[2-hydroxy-2-(4-nitrophenyl)ethyl]glycinamide；2-[(4-chlorophenyl)methyl-[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-N-(2,6-dibromo-4-nitrophenyl)acetamide
• CAS: 1060798-50-6
• 化学式: C₂₃H₁₉Br₂ClN₄O₆
• 分子量: 642.688
• InChiKey: GQZMHCBDMOLFIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  144
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(2,6-dibromo-4-nitrophenyl)bromoacetamide 、 2-(4-chlorobenzylamino)-1-(4-nitrophenyl)ethanol 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以73%的产率得到2-{(4-chlorobenzyl)-[2-hydroxy-2-(4-nitrophenyl)-ethyl]amino}-N-(2,6-dibromo-4-nitrophenyl)acetamide
  参考文献：
  名称：

  Synthesis of 2-(4-chlorobenzylamino)-1-(4-nitrophenyl)ethanol and its chemical transformations

  摘要：

  By the ring cleavage of p-nitrophenyloxirane with p-chlorobenzylamine the corresponding chlorobenzyl- and nitrophenyl-substituted aminoethanol was obtained that was brought into reactions of glycosylation, reduction and substitution aimed at the preparation and designing of new structures containing pharmacalogically active functional groups. Among the synthesized compounds a compound is revealed possessing moderately expressed antibacterial and antifungal activity.

  DOI：

  10.1134/s107036320812013x

文献信息

• Synthesis of 2-(4-chlorobenzylamino)-1-(4-nitrophenyl)ethanol and its chemical transformations
  作者：I. V. Kulakov、Z. M. Zhambekov、S. D. Fazylov、O. A. Nurkenov

  DOI：10.1134/s107036320812013x

  日期：2008.12

  By the ring cleavage of p-nitrophenyloxirane with p-chlorobenzylamine the corresponding chlorobenzyl- and nitrophenyl-substituted aminoethanol was obtained that was brought into reactions of glycosylation, reduction and substitution aimed at the preparation and designing of new structures containing pharmacalogically active functional groups. Among the synthesized compounds a compound is revealed possessing moderately expressed antibacterial and antifungal activity.