4-[7-(Diethylamino)-2-oxo-3-(4-phenyltriazol-1-yl)chromen-6-yl]benzonitrile | 1401785-27-0

• 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: 4-[7-(Diethylamino)-2-oxo-3-(4-phenyltriazol-1-yl)chromen-6-yl]benzonitrile
• 英文别名: 4-[7-(diethylamino)-2-oxo-3-(4-phenyltriazol-1-yl)chromen-6-yl]benzonitrile
• CAS: 1401785-27-0
• 化学式: C₂₈H₂₃N₅O₂
• 分子量: 461.523
• InChiKey: ITTYOUWMTAWLOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  84
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 copper(ll) sulfate pentahydrate 、 sodium ascorbate 、 cesium fluoride 、 2,8,9-三异丙基-2,5,8,9-四硫唑嘌呤-1-磷杂二环[3.3.3]十一烷 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 51.5h， 生成 4-[7-(Diethylamino)-2-oxo-3-(4-phenyltriazol-1-yl)chromen-6-yl]benzonitrile
  参考文献：
  名称：

  Fluorescent properties of coumarins with dual functions constructed by two sequential reactions

  摘要：

  A series of coumarins with two aryl moieties was constructed from 3-azide-6-bromocoumarin scaffold by means of two sequential reactions, Huisgen 1,3-cycloaddition and Suzuki-Miyaura coupling reactions. Evaluation of their fluorescence properties indicated that the mode of fluorescent change by substituted group on each aryl group would be different. So this structure could be promising candidates as multi-analyte type fluorescent sensors, whose mode of spectroscopic changes, such as fluorescence intensity, and absorption or fluorescence maximum wavelength, are different for each analyte. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.08.085

文献信息

• Fluorescent properties of coumarins with dual functions constructed by two sequential reactions
  作者：Tomoya Hirano、Haruko Kubo、Takuya Shiraishi、Kenichi Hiromoto、Takashi Fujiwara、Hiroyuki Kagechika

  DOI：10.1016/j.tetlet.2012.08.085

  日期：2012.10

  A series of coumarins with two aryl moieties was constructed from 3-azide-6-bromocoumarin scaffold by means of two sequential reactions, Huisgen 1,3-cycloaddition and Suzuki-Miyaura coupling reactions. Evaluation of their fluorescence properties indicated that the mode of fluorescent change by substituted group on each aryl group would be different. So this structure could be promising candidates as multi-analyte type fluorescent sensors, whose mode of spectroscopic changes, such as fluorescence intensity, and absorption or fluorescence maximum wavelength, are different for each analyte. (C) 2012 Elsevier Ltd. All rights reserved.