N-((1λ⁴-pyridin-1-yl)methyl)-N-((1λ⁴-quinolin-1-yl)methyl)-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine | 1446140-80-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-((1λ⁴-pyridin-1-yl)methyl)-N-((1λ⁴-quinolin-1-yl)methyl)-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine
• 英文别名: 4-nitro-N-(pyridin-2-ylmethyl)-N-(quinolin-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine
• CAS: 1446140-80-2
• 化学式: C₂₂H₁₆N₆O₃
• 分子量: 412.407
• InChiKey: WCOKRUDZICLILD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-((1λ⁴-pyridin-1-yl)methyl)-N-((1λ⁴-quinolin-1-yl)methyl)-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine 、 mercury(II) nitrate 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  A NBD-based selective colorimetric and fluorescent chemosensor for Hg2+

  摘要：

  A new NBD-based sensor bearing a dipicolylamine derivative, (2-pyridylmethyl)(2-quinolylmethyl)amine (1), was synthesized, and its chromogenic and fluorogenic behaviors toward various metal ions were investigated in methanol solution. Chemosensor 1 selectively detected Hg2+ ions through color change from yellow to colorless. In addition, chemosensor 1 exhibited highly Hg2+-selective ON-OFF fluorescence quenching behavior and was shown to discriminate various competing metal ions, particularly, such as Cu2+, Ag+, and Pb2+. The binding mode of 1-Hg2+ was found to be a 1:2 complex formation, based on Job plot and H-1 NMR titration. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.074
• 作为产物：
  描述：

  [(pyridin-2-yl)methyl][(quinolin-2-yl)methyl]amine 、 4-氯-7-硝基苯并-2-氧杂-1,3-二唑 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以51%的产率得到N-((1λ⁴-pyridin-1-yl)methyl)-N-((1λ⁴-quinolin-1-yl)methyl)-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine
  参考文献：
  名称：

  신규한 N-QDPA 화합물, 이를 이용한 수은 이온 검출제, 검출 방법 및 검출장치

  摘要：

  这项发明涉及化学式1中的N-QDPA化合物，包括含有汞离子（Hg2+）的检测剂，检测方法和检测装置。 [化学式1]

  公开号：

  KR101509647B1

文献信息

• 신규한 N-QDPA 화합물, 이를 이용한 수은 이온 검출제, 검출 방법 및 검출장치
  申请人：Foundation for Research and Business, Seoul National University of Science and Technology 서울과학기술대학교 산학협력단(220040210013) BRN ▼210-82-08420

  公开号：KR101509647B1

  公开（公告）日：2015-04-08

  본 발명은 하기 화학식 1의 N-QDPA 화합물, 이를 포함하는 수은 이온(Hg2+) 검출제, 검출방법 및 검출 장치에 관한 것이다. [화학식 1]

  这项发明涉及化学式1中的N-QDPA化合物，包括含有汞离子（Hg2+）的检测剂，检测方法和检测装置。 [化学式1]
• A NBD-based selective colorimetric and fluorescent chemosensor for Hg2+
  作者：Jin Hoon Kim、Jin Young Noh、In Hong Hwang、Jae Jun Lee、Cheal Kim

  DOI：10.1016/j.tetlet.2013.05.074

  日期：2013.7

  A new NBD-based sensor bearing a dipicolylamine derivative, (2-pyridylmethyl)(2-quinolylmethyl)amine (1), was synthesized, and its chromogenic and fluorogenic behaviors toward various metal ions were investigated in methanol solution. Chemosensor 1 selectively detected Hg2+ ions through color change from yellow to colorless. In addition, chemosensor 1 exhibited highly Hg2+-selective ON-OFF fluorescence quenching behavior and was shown to discriminate various competing metal ions, particularly, such as Cu2+, Ag+, and Pb2+. The binding mode of 1-Hg2+ was found to be a 1:2 complex formation, based on Job plot and H-1 NMR titration. (C) 2013 Elsevier Ltd. All rights reserved.