1,1'-(2 (pentane-3-yl)propane-1,3-yl)bis(oxy)bis(methylene)dipyrene | 1431967-17-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1,1'-(2 (pentane-3-yl)propane-1,3-yl)bis(oxy)bis(methylene)dipyrene
• 英文别名: 1-[[3-Ethyl-2-(pyren-1-ylmethoxymethyl)pent-2-enoxy]methyl]pyrene；1-[[3-ethyl-2-(pyren-1-ylmethoxymethyl)pent-2-enoxy]methyl]pyrene
• CAS: 1431967-17-7
• 化学式: C₄₂H₃₆O₂
• 分子量: 572.747
• InChiKey: LOCOSMNKGMQJPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.6
• 重原子数：
  44
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-芘甲醇 、 1-bromo-2-(bromomethyl)-3-ethylpent-2-ene 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以47%的产率得到1,1'-(2 (pentane-3-yl)propane-1,3-yl)bis(oxy)bis(methylene)dipyrene
  参考文献：
  名称：

  Simple fluorescent chemosensors for TNT: one-step synthesis

  摘要：

  A series of simple fluorescent chemosensors were synthesized and their binding constants for electron-deficient aromatic explosives were compared in semi-aqueous media. Among these molecules, the best fluorescent chemosensor 4 can detect <2 ppb of TNT in a semi-aqueous solution, employing hydrophobic interactions and its conformational strains. Furthermore, this dipyrenyl chemosensor can be easily obtained via a single reaction using readily available starting materials. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.03.108

文献信息

• Simple fluorescent chemosensors for TNT: one-step synthesis
  作者：Seul-Bi Kim、Eun-Bee Lee、Jung-Hwa Choi、Dong-Gyu Cho

  DOI：10.1016/j.tet.2013.03.108

  日期：2013.6

  A series of simple fluorescent chemosensors were synthesized and their binding constants for electron-deficient aromatic explosives were compared in semi-aqueous media. Among these molecules, the best fluorescent chemosensor 4 can detect <2 ppb of TNT in a semi-aqueous solution, employing hydrophobic interactions and its conformational strains. Furthermore, this dipyrenyl chemosensor can be easily obtained via a single reaction using readily available starting materials. (C) 2013 Elsevier Ltd. All rights reserved.