[1-[2-(4-bromo-N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]anilino)-2-oxoethyl]triazol-4-yl]methyl 2-oxochromene-3-carboxylate | 1370471-75-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: [1-[2-(4-bromo-N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]anilino)-2-oxoethyl]triazol-4-yl]methyl 2-oxochromene-3-carboxylate
• CAS: 1370471-75-2
• 化学式: C₃₃H₂₉BrFN₅O₆
• 分子量: 690.526
• InChiKey: LQLSJVYJCMRCAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  46
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  133
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-(4-bromophenyl)-N-(2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl)-2-chloroacetamide 在 sodium azide 、 copper(ll) sulfate pentahydrate 、 potassium carbonate 、 sodium ascorbate 作用下， 以 N,N-二甲基乙酰胺 、 水 、 二甲基亚砜 、 叔丁醇 为溶剂， 反应 24.0h， 生成 [1-[2-(4-bromo-N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]anilino)-2-oxoethyl]triazol-4-yl]methyl 2-oxochromene-3-carboxylate
  参考文献：
  名称：

  Step-economic and cost effective synthesis of coumarin based blue emitting fluorescent dyes

  摘要：

  Cost effective and green protocols for the synthesis of two new series of coumarin based blue light emitting fluorophores named as 'Beta Fluors' and 'Alpha Fluors' are described. The coumarin alkylamide based Beta Fluors are developed using a one-step multi-component process in the presence of phenyl boronic acid as an efficient green catalyst. The Alpha Fluors are structured with coumarin-triazole-carboxamide peptidomimetics and their synthesis involves the 'click with MCR' concept. The new fluorophores gave high Stoke's shift values for the emission wavelengths and their structural features are promising for further fine tuning to obtain preferred emission maxima. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.06.071

文献信息

• Step-economic and cost effective synthesis of coumarin based blue emitting fluorescent dyes
  作者：T.V. Soumya、P. Thasnim、D. Bahulayan

  DOI：10.1016/j.tetlet.2014.06.071

  日期：2014.8

  Cost effective and green protocols for the synthesis of two new series of coumarin based blue light emitting fluorophores named as 'Beta Fluors' and 'Alpha Fluors' are described. The coumarin alkylamide based Beta Fluors are developed using a one-step multi-component process in the presence of phenyl boronic acid as an efficient green catalyst. The Alpha Fluors are structured with coumarin-triazole-carboxamide peptidomimetics and their synthesis involves the 'click with MCR' concept. The new fluorophores gave high Stoke's shift values for the emission wavelengths and their structural features are promising for further fine tuning to obtain preferred emission maxima. (C) 2014 Elsevier Ltd. All rights reserved.