| 1370471-16-1

• 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
• CAS: 1370471-16-1
• 化学式: C₂₀H₂₁Br₂N₅O₂
• 分子量: 523.227
• InChiKey: FRPCQLUZDKNFQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.51
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  98.17
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  prop-2-yn-1-yl 2-oxo-2H-chromene-3-carboxylate 、 在 copper(II) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 水 、 二甲基亚砜 、 叔丁醇 为溶剂， 反应 12.0h， 以97%的产率得到(1-(2-((4-bromophenyl)(1-(2-bromophenyl)-2-(tert-butylamino)-2-oxoethyl)amino)-2-oxoethyl)-1H-1,2,3-triazol-4-yl)methyl 2-oxo-2H-chromene-3-carboxylate
  参考文献：
  名称：

  Stereoselective synthesis of bio-hybrid amphiphiles of coumarin derivatives by Ugi–Mannich triazole randomization using copper catalyzed alkyne azide click chemistry

  摘要：

  An efficient synthesis of ester-triazole-amide amphiphiles of coumarin derivatives by triazole randomization based on click approach is described. Twenty-five small peptide azides were synthesized using Ugi or alternate Mannich-type multi-component reactions. The new azides were then used for the triazole randomization of alkyne functionalized coumarin ester under CuAAC conditions. Sixty-five new peptide bio-hybrids are obtained in near quantitative yield with high regio and stereoselectivity. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.111
• 作为产物：
  描述：

  N-(4-bromophenyl)-N-(1-(2-bromophenyl)-2-(tert-butylamino)-2-oxoethyl)-2-chloroacetamide 在 sodium azide 、 potassium carbonate 作用下， 以 异丁酰胺 为溶剂， 反应 4.0h， 以95%的产率得到
  参考文献：
  名称：

  Stereoselective synthesis of bio-hybrid amphiphiles of coumarin derivatives by Ugi–Mannich triazole randomization using copper catalyzed alkyne azide click chemistry

  摘要：

  An efficient synthesis of ester-triazole-amide amphiphiles of coumarin derivatives by triazole randomization based on click approach is described. Twenty-five small peptide azides were synthesized using Ugi or alternate Mannich-type multi-component reactions. The new azides were then used for the triazole randomization of alkyne functionalized coumarin ester under CuAAC conditions. Sixty-five new peptide bio-hybrids are obtained in near quantitative yield with high regio and stereoselectivity. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.111