4-((4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)phenyl)diazenyl)benzoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: 4-((4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)phenyl)diazenyl)benzoic acid
• 英文别名: 4-[[4-(1,4-Dioxa-7,13-dithia-10-azacyclopentadec-10-yl)phenyl]diazenyl]benzoic acid；4-[[4-(1,4-dioxa-7,13-dithia-10-azacyclopentadec-10-yl)phenyl]diazenyl]benzoic acid
• 化学式: C₂₃H₂₉N₃O₄S₂
• 分子量: 475.633
• InChiKey: PZTAWLBRPMMXDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  134
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N-羟基丁二酰亚胺 、 4-((4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)phenyl)diazenyl)benzoic acid 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Solvent effect and amine interference on colorimetric changes of azobenzene-conjugated dithiaazadioxo crown ether mercury sensor

  摘要：

  The colorimetric behavior of an azobenzene-based dye containing dithiaazadioxo ring for Hg2+-detection was investigated in diverse solvents. The mercury specific ligand shows hypsochromic changes in pure and aqueous MeCN upon Hg2+-binding while strong bathochromic shift was observed in chloroform. In both solvent systems, dithiaazadioxo ring is revealed to be indispensable to the selective detection of mercury ion, and several binding schemes in different solvents were proposed on the selective Hg2+ binding. Grafted on cationic polymer (PEI) through amide coupling, it was observed that the ligand basically maintains the Hg2+ detection capability, but substantially hindered by amine moieties in PEI. Crown Copyright (C) 2013 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.10.013
• 作为产物：
  描述：

  N,N-二羟乙基苯胺 在 盐酸 、 potassium carbonate 、 三乙胺 、 sodium nitrite 作用下， 以 氯仿 、 水 、 乙腈 为溶剂， 反应 24.33h， 生成 4-((4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)phenyl)diazenyl)benzoic acid
  参考文献：
  名称：

  Solvent effect and amine interference on colorimetric changes of azobenzene-conjugated dithiaazadioxo crown ether mercury sensor

  摘要：

  The colorimetric behavior of an azobenzene-based dye containing dithiaazadioxo ring for Hg2+-detection was investigated in diverse solvents. The mercury specific ligand shows hypsochromic changes in pure and aqueous MeCN upon Hg2+-binding while strong bathochromic shift was observed in chloroform. In both solvent systems, dithiaazadioxo ring is revealed to be indispensable to the selective detection of mercury ion, and several binding schemes in different solvents were proposed on the selective Hg2+ binding. Grafted on cationic polymer (PEI) through amide coupling, it was observed that the ligand basically maintains the Hg2+ detection capability, but substantially hindered by amine moieties in PEI. Crown Copyright (C) 2013 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.10.013