3-(1,3-benzothiazol-2-yl)-7-ethoxy-2H-chromen-2-one | 307551-81-1

• 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-(1,3-benzothiazol-2-yl)-7-ethoxy-2H-chromen-2-one
• 英文别名: 3-(1,3-benzothiazol-2-yl)-7-ethoxychromen-2-one
• CAS: 307551-81-1
• 化学式: C₁₈H₁₃NO₃S
• mdl: MFCD00037409
• 分子量: 323.372
• InChiKey: XAMQPDRMIDFVKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  76.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(1,3-benzothiazol-2-yl)-7-ethoxy-2H-chromen-2-one 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以38%的产率得到C₁₈H₁₃NO₂S₂
  参考文献：
  名称：

  Dual signaling of hypochlorous acid by desulfurization of thiocoumarin

  摘要：

  The HOD-selective signaling behavior of thiocoumarin was investigated. The thio derivative of ethoxycoumarin showed selective and efficient colorimetric and fluorogenic signaling behaviors over other commonly used oxidants in an aqueous environment. The signaling is due to the oxidative desulfurization of the thiocarbonyl moiety by HOCl to yield oxocarbonyl function. The interference from Hg2+ ions was successfully removed by using bromide ions as a masking agent. HOCl signaling with a detection limit of 8.3 x 10(-7) M in the presence of common metal ions and anions as background was possible. The designed probe could be useful for the determination of hypochlorous acid in chemical and environmental samples. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.110
• 作为产物：
  描述：

  C₁₈H₁₃NO₂S₂ 在 次氯酸 作用下， 以 乙腈 为溶剂， 生成 3-(1,3-benzothiazol-2-yl)-7-ethoxy-2H-chromen-2-one
  参考文献：
  名称：

  Dual signaling of hypochlorous acid by desulfurization of thiocoumarin

  摘要：

  The HOD-selective signaling behavior of thiocoumarin was investigated. The thio derivative of ethoxycoumarin showed selective and efficient colorimetric and fluorogenic signaling behaviors over other commonly used oxidants in an aqueous environment. The signaling is due to the oxidative desulfurization of the thiocarbonyl moiety by HOCl to yield oxocarbonyl function. The interference from Hg2+ ions was successfully removed by using bromide ions as a masking agent. HOCl signaling with a detection limit of 8.3 x 10(-7) M in the presence of common metal ions and anions as background was possible. The designed probe could be useful for the determination of hypochlorous acid in chemical and environmental samples. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.110

文献信息

• Process for photopolymerization by exposure of a photosensitive lithographic printing plate
  申请人：FUJIFILM Corporation

  公开号：EP1273971B1

  公开（公告）日：2010-02-10
• Dual signaling of hypochlorous acid by desulfurization of thiocoumarin
  作者：Jung Ok Moon、Jung Woo Lee、Myung Gil Choi、Sangdoo Ahn、Suk-Kyu Chang

  DOI：10.1016/j.tetlet.2012.09.110

  日期：2012.11

  The HOD-selective signaling behavior of thiocoumarin was investigated. The thio derivative of ethoxycoumarin showed selective and efficient colorimetric and fluorogenic signaling behaviors over other commonly used oxidants in an aqueous environment. The signaling is due to the oxidative desulfurization of the thiocarbonyl moiety by HOCl to yield oxocarbonyl function. The interference from Hg2+ ions was successfully removed by using bromide ions as a masking agent. HOCl signaling with a detection limit of 8.3 x 10(-7) M in the presence of common metal ions and anions as background was possible. The designed probe could be useful for the determination of hypochlorous acid in chemical and environmental samples. (C) 2012 Elsevier Ltd. All rights reserved.