N-(6-(diethylamino)-9-(2-(methyl(phenyl)carbamoyl)phenyl)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride | 1276694-16-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N-(6-(diethylamino)-9-(2-(methyl(phenyl)carbamoyl)phenyl)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride
• CAS: 1276694-16-6
• 化学式: C₃₅H₃₈N₃O₂*Cl
• 分子量: 568.159
• InChiKey: YDWPIRYPTHOFDI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.14
• 重原子数：
  41.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  39.7
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  罗丹明B 在 三氯氧磷 作用下， 以 1,2-二氯乙烷 、 乙腈 为溶剂， 反应 4.0h， 生成 N-(6-(diethylamino)-9-(2-(methyl(phenyl)carbamoyl)phenyl)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride
  参考文献：
  名称：

  Design and synthesis of a novel fluorescence probe for Zn2+ based on the spirolactam ring-opening process of rhodamine derivatives

  摘要：

  The spirolactam ring-opening process of rhodamine derivative is one of the most useful mechanisms for controlling fluorescence properties. However, the open/closed equilibrium reaction of rhodamine spirolactam has not been well characterized. Therefore, we examined the relationship between the spirolactam ring-opening process of rhodamine derivatives and the structure of the xanthene moiety. Based on the results of this investigation, we selected a candidate xanthene moiety for a Zn2+ sensor, and successfully developed a new fluorescence probe for Zn2+. (C) 2010 Elsevier Ltd. All rights reserved,

  DOI：

  10.1016/j.bmc.2010.05.074