1-[[7-(Diethylamino)-2-oxochromene-3-carbonyl]amino]-3-phenylthiourea | 1233975-23-9

• 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: 1-[[7-(Diethylamino)-2-oxochromene-3-carbonyl]amino]-3-phenylthiourea
• 英文别名: 1-[[7-(diethylamino)-2-oxochromene-3-carbonyl]amino]-3-phenylthiourea
• CAS: 1233975-23-9
• 化学式: C₂₁H₂₂N₄O₃S
• 分子量: 410.497
• InChiKey: NEKHBZXSROKFHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-[[7-(Diethylamino)-2-oxochromene-3-carbonyl]amino]-3-phenylthiourea 在 mercury dichloride 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 0.17h， 以97.9%的产率得到3-(5-Anilino-1,3,4-oxadiazol-2-yl)-7-(diethylamino)chromen-2-one
  参考文献：
  名称：

  A Hg2+-selective chemodosimeter based on desulfurization of coumarin thiosemicarbazide in aqueous media

  摘要：

  A fluorescence-enhanced chemodosimeter 1 based on coumarin thiosemicarbazide for Hg2+ was developed via a Hg2+-induced desulfurization reaction. Spectroscopic results reveal that chemodosimeter 1 exhibits high sensitivity and selectivity for Hg2+ in comparison to common interfering metal ions in aqueous media at room temperature. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.03.028
• 作为产物：
  描述：

  硫代异氰酸苯酯 、 7-(二乙氨基)香豆素-3-甲酰肼 以 乙醇 为溶剂， 以87.5%的产率得到1-[[7-(Diethylamino)-2-oxochromene-3-carbonyl]amino]-3-phenylthiourea
  参考文献：
  名称：

  A Hg2+-selective chemodosimeter based on desulfurization of coumarin thiosemicarbazide in aqueous media

  摘要：

  A fluorescence-enhanced chemodosimeter 1 based on coumarin thiosemicarbazide for Hg2+ was developed via a Hg2+-induced desulfurization reaction. Spectroscopic results reveal that chemodosimeter 1 exhibits high sensitivity and selectivity for Hg2+ in comparison to common interfering metal ions in aqueous media at room temperature. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.03.028

文献信息

• A Hg2+-selective chemodosimeter based on desulfurization of coumarin thiosemicarbazide in aqueous media
  作者：Wenhui Ma、Qun Xu、Jianjun Du、Bo Song、Xiaojun Peng、Zhuo Wang、Guodong Li、Xifang Wang

  DOI：10.1016/j.saa.2010.03.028

  日期：2010.7

  A fluorescence-enhanced chemodosimeter 1 based on coumarin thiosemicarbazide for Hg2+ was developed via a Hg2+-induced desulfurization reaction. Spectroscopic results reveal that chemodosimeter 1 exhibits high sensitivity and selectivity for Hg2+ in comparison to common interfering metal ions in aqueous media at room temperature. (C) 2010 Elsevier B.V. All rights reserved.