3',6'-Bis(diethylamino)-2-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]spiro[isoindole-3,9'-xanthene]-1-one | 1072917-18-0

• 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: 3',6'-Bis(diethylamino)-2-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]spiro[isoindole-3,9'-xanthene]-1-one
• CAS: 1072917-18-0
• 化学式: C₃₈H₅₃N₇O₂
• 分子量: 639.885
• InChiKey: HNEUSCHNGFWPHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  47
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  75.4
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-(2-bromoethyl)-3',6'-bis(diethylamino)spiro[isoindoline-1,9'-xanthene]-3-one 、 轮环藤宁 以 甲苯 为溶剂， 反应 48.0h， 以86%的产率得到3',6'-Bis(diethylamino)-2-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]spiro[isoindole-3,9'-xanthene]-1-one
  参考文献：
  名称：

  A Rhodamine−Cyclen Conjugate as a Highly Sensitive and Selective Fluorescent Chemosensor for Hg(II)

  摘要：

  A rhodamine-cyclen conjugate (1) behaves as a highly sensitive and selective fluorescent chemosensor for Hg2+. The high emission selectivity is due to the formation of 1-Hg2+ 1:2 complex leading to spirocycle opening of 1.

  DOI：

  10.1021/jo8012447

文献信息

• A Rhodamine−Cyclen Conjugate as a Highly Sensitive and Selective Fluorescent Chemosensor for Hg(II)
  作者：Yasuhiro Shiraishi、Shigehiro Sumiya、Yoshiko Kohno、Takayuki Hirai

  DOI：10.1021/jo8012447

  日期：2008.11.7

  A rhodamine-cyclen conjugate (1) behaves as a highly sensitive and selective fluorescent chemosensor for Hg2+. The high emission selectivity is due to the formation of 1-Hg2+ 1:2 complex leading to spirocycle opening of 1.