[6-(Diethylamino)-9-[2-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]xanthen-3-ylidene]-diethylazanium | 1374965-62-4

• 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: [6-(Diethylamino)-9-[2-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]xanthen-3-ylidene]-diethylazanium
• 英文别名: [6-(diethylamino)-9-[2-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]xanthen-3-ylidene]-diethylazanium
• CAS: 1374965-62-4
• 化学式: C₃₂H₃₅N₄O₂S
• 分子量: 539.721
• InChiKey: LFPNXDJIUMZZQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  79.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  罗丹明B 在 四丁基溴化铵 、 caesium carbonate 、 一水合肼 、 mercury dichloride 作用下， 以 甲醇 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.17h， 生成 [6-(Diethylamino)-9-[2-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]xanthen-3-ylidene]-diethylazanium
  参考文献：
  名称：

  A highly selective chemodosimeter for the rapid detection of Hg2+ ions in aqueous media

  摘要：

  A novel S,S'-diallyl carbohydrazonodithioate derivative 3 of rhodamine B hydrazone was developed as a chemodosimeter for selective detection of mercury ions based on Hg2+ promoted cyclization. The allyl groups of 3 play a key role in the binding and selection of Hg2+ ions. The probe responds selectively to Hg2+ over various other competitive cations with marked chromo- and fluorogenic changes. The formation of stable oxadiazole derivative 8 was a strong driving force for this high selectivity. Practically, this probe is more promising because of the remarkable high selectivity, faster response, low detection limit, and aqueous solubility of 3. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.040

文献信息

• A highly selective chemodosimeter for the rapid detection of Hg2+ ions in aqueous media
  作者：Ambadas B. Rode、Jinkwon Kim、Sang-Ho Kim、Gajendra Gupta、In Seok Hong

  DOI：10.1016/j.tetlet.2012.03.040

  日期：2012.5

  A novel S,S'-diallyl carbohydrazonodithioate derivative 3 of rhodamine B hydrazone was developed as a chemodosimeter for selective detection of mercury ions based on Hg2+ promoted cyclization. The allyl groups of 3 play a key role in the binding and selection of Hg2+ ions. The probe responds selectively to Hg2+ over various other competitive cations with marked chromo- and fluorogenic changes. The formation of stable oxadiazole derivative 8 was a strong driving force for this high selectivity. Practically, this probe is more promising because of the remarkable high selectivity, faster response, low detection limit, and aqueous solubility of 3. (C) 2012 Elsevier Ltd. All rights reserved.