3-[N-(((aminoethoxy)ethoxy)ethyl)]carbamoylmethyl-7-[1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-1H-1,2,3-triazol-4-yl]-4-methyl-2H-chromen-2-one | 1384967-01-4

• 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: 3-[N-(((aminoethoxy)ethoxy)ethyl)]carbamoylmethyl-7-[1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-1H-1,2,3-triazol-4-yl]-4-methyl-2H-chromen-2-one
• CAS: 1384967-01-4
• 化学式: C₃₁H₃₀F₁₇N₅O₅
• 分子量: 875.583
• InChiKey: PGYKPEDKHCRGDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  58.0
• 可旋转键数：
  21.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  134.5
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  3-[N-(((aminoethoxy)ethoxy)ethyl)]carbamoylmethyl-7-[1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-1H-1,2,3-triazol-4-yl]-4-methyl-2H-chromen-2-one 、 (+)生物素-N-琥珀酰亚胺基酯 在 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以47%的产率得到3-[N-((((biotinyl)aminoethoxy)ethoxy)ethyl)]carbamoylmethyl-7-[1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-1H-1,2,3-triazol-4-yl]-4-methyl-2H-chromen-2-one
  参考文献：
  名称：

  7-Triazolylcoumarin-based fluorescent tag system for stepwise, comparative assessment of small molecule microarrays

  摘要：

  The potential use of a fluorescent tag system based on 7-(1H-1,2,3-triazol-4-yl)coumarin fluorophore having a fluorous moiety and a polyethylene glycol (PEG) spacer at opposite ends as a tool for a stepwise and comparative evaluation of the fabrication process of small molecule microarrays was illustrated by the qualitative analysis of the results of the fluorescence detection obtained from the microarray experiments using the tagged biotins and streptavidin-Cy3 (and avidin-Cy5) as the binding partners. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.05.018
• 作为产物：
  描述：

  methyl-2-(4-methyl-2-oxo-7-(((trifluoromethyl)sulfonyl)oxy)-2H-chromen-3-yl)acetate 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(ll) sulfate pentahydrate 、 lithium hydroxide monohydrate 、 potassium carbonate 、 sodium ascorbate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 10.0h， 生成 3-[N-(((aminoethoxy)ethoxy)ethyl)]carbamoylmethyl-7-[1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-1H-1,2,3-triazol-4-yl]-4-methyl-2H-chromen-2-one
  参考文献：
  名称：

  7-Triazolylcoumarin-based fluorescent tag system for stepwise, comparative assessment of small molecule microarrays

  摘要：

  The potential use of a fluorescent tag system based on 7-(1H-1,2,3-triazol-4-yl)coumarin fluorophore having a fluorous moiety and a polyethylene glycol (PEG) spacer at opposite ends as a tool for a stepwise and comparative evaluation of the fabrication process of small molecule microarrays was illustrated by the qualitative analysis of the results of the fluorescence detection obtained from the microarray experiments using the tagged biotins and streptavidin-Cy3 (and avidin-Cy5) as the binding partners. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.05.018