9-{4-[Bis-(2-chloro-ethyl)-amino]-phenyl}-6-hydroxy-xanthen-3-one | 915790-12-4

• 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: 9-{4-[Bis-(2-chloro-ethyl)-amino]-phenyl}-6-hydroxy-xanthen-3-one
• 英文别名: 9-{4-[Bis(2-chloroethyl)amino]phenyl}-6-hydroxy-3H-xanthen-3-one；9-[4-[bis(2-chloroethyl)amino]phenyl]-6-hydroxyxanthen-3-one
• CAS: 915790-12-4
• 化学式: C₂₃H₁₉Cl₂NO₃
• 分子量: 428.315
• InChiKey: AOTKZSMYABDDGH-UHFFFAOYSA-N

物化性质

• 沸点：
  674.0±55.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  9-{4-[Bis-(2-chloro-ethyl)-amino]-phenyl}-6-hydroxy-xanthen-3-one 、 sodium dimethyldithiocarbamate 在 potassium iodide 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以90%的产率得到2-[N-[2-(dimethylcarbamothioylsulfanyl)ethyl]-4-(3-hydroxy-6-oxoxanthen-9-yl)anilino]ethyl N,N-dimethylcarbamodithioate
  参考文献：
  名称：

  Highly sensitive and selective fluorescent chemosensors for Hg(II) in an aqueous environment based on carbamodithioate

  摘要：

  Two highly sensitive (detection limits similar to 20 nM) and selective (selectivity > 30) fluorescent chemosensors were developed for detecting Hg2+ in a fully aqueous environment by using the rarely-studied carbamodithioate to create an Hg2+ binding site. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.08.127
• 作为产物：
  描述：

  N,N-双(2-氯乙基)苯胺 在 甲烷磺酸 、 三氯氧磷 作用下， 反应 29.0h， 生成 9-{4-[Bis-(2-chloro-ethyl)-amino]-phenyl}-6-hydroxy-xanthen-3-one
  参考文献：
  名称：

  Highly sensitive and selective fluorescent chemosensors for Hg(II) in an aqueous environment based on carbamodithioate

  摘要：

  Two highly sensitive (detection limits similar to 20 nM) and selective (selectivity > 30) fluorescent chemosensors were developed for detecting Hg2+ in a fully aqueous environment by using the rarely-studied carbamodithioate to create an Hg2+ binding site. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.08.127

文献信息

• Highly sensitive and selective fluorescent chemosensors for Hg(II) in an aqueous environment based on carbamodithioate
  作者：Xiang-Ming Meng、Lei Liu、Hui-Yuan Hu、Man-Zhou Zhu、Mao-Xiang Wang、Jin Shi、Qing-Xiang Guo

  DOI：10.1016/j.tetlet.2006.08.127

  日期：2006.11

  Two highly sensitive (detection limits similar to 20 nM) and selective (selectivity > 30) fluorescent chemosensors were developed for detecting Hg2+ in a fully aqueous environment by using the rarely-studied carbamodithioate to create an Hg2+ binding site. (c) 2006 Elsevier Ltd. All rights reserved.