1-(pyridin-2-ylmethyl)-2-(3-(1-(pyridin-2-ylmethyl)benzimidazol-2-yl)propyl)benzimidazole | 1431139-12-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1-(pyridin-2-ylmethyl)-2-(3-(1-(pyridin-2-ylmethyl)benzimidazol-2-yl)propyl)benzimidazole
• 英文别名: 1-(Pyridin-2-ylmethyl)-2-[3-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]propyl]benzimidazole
• CAS: 1431139-12-6
• 化学式: C₂₉H₂₆N₆
• 分子量: 458.566
• InChiKey: UMHKINDDSFYOHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲醇 、 copper(II) nitrate trihydrate 、 1-(pyridin-2-ylmethyl)-2-(3-(1-(pyridin-2-ylmethyl)benzimidazol-2-yl)propyl)benzimidazole 反应 0.5h， 以45%的产率得到
  参考文献：
  名称：

  1-(Pyridin-2-ylmethyl)-2-(3-(1-(pyridin-2-ylmethyl)benzimidazol-2-yl) propyl) benzimidazole and its copper(II) complex as a new fluorescent sensor for dopamine (4-(2-aminoethyl)benzene-1,2-diol)

  摘要：

  A new ligand 1-(pyridin-2-ylmethyl)-2-(3-(1-(pyridin-2-ylmethyl)benzimidazol-2-yl) propyl) benzimidazole (L) and its Cu(II) complex (1) have been synthesized and characterized spectroscopically and structurally. The Cu(II) ion is coordinated by two nitrogen atoms of benzimidazole groups, two oxygen atoms of the nitrate anions and one oxygen atom of a water molecule forming distorted trigonal bipyramidal geometry. The ligand and its complex have been utilized as a fluorescent sensor for 4-(2-aminoethyl)benzene-1,2-diol. A plot of F-0/F-F-0 vs 1/Conc (4-(2-aminoethyl)benzene-1,2-diol) at a selected wavelength of 306 nm with (L) that shows a straight line behavior, supports the validity of the assumption of 1:1 complex formation and the association constant of (L) with 4-(2-aminoethyl)benzene-1,2-diol is calculated to be 9868 M-1. Sensor (L) is found to be selective for 4-(2-aminoethyl)benzene-1,2-diol over aromatic amines, phenols, amino catechol (L-3,4-dihydroxyphenylalanine) and 4,6-ditertiarybutyl benzene-1,2-diol. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2013.02.015
• 作为产物：
  描述：

  2-氯甲基吡啶 、 2,2'-(1,3-propanediyl)bis(1H-benzimidazole) 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 75.0h， 以55%的产率得到1-(pyridin-2-ylmethyl)-2-(3-(1-(pyridin-2-ylmethyl)benzimidazol-2-yl)propyl)benzimidazole
  参考文献：
  名称：

  1-(Pyridin-2-ylmethyl)-2-(3-(1-(pyridin-2-ylmethyl)benzimidazol-2-yl) propyl) benzimidazole and its copper(II) complex as a new fluorescent sensor for dopamine (4-(2-aminoethyl)benzene-1,2-diol)

  摘要：

  A new ligand 1-(pyridin-2-ylmethyl)-2-(3-(1-(pyridin-2-ylmethyl)benzimidazol-2-yl) propyl) benzimidazole (L) and its Cu(II) complex (1) have been synthesized and characterized spectroscopically and structurally. The Cu(II) ion is coordinated by two nitrogen atoms of benzimidazole groups, two oxygen atoms of the nitrate anions and one oxygen atom of a water molecule forming distorted trigonal bipyramidal geometry. The ligand and its complex have been utilized as a fluorescent sensor for 4-(2-aminoethyl)benzene-1,2-diol. A plot of F-0/F-F-0 vs 1/Conc (4-(2-aminoethyl)benzene-1,2-diol) at a selected wavelength of 306 nm with (L) that shows a straight line behavior, supports the validity of the assumption of 1:1 complex formation and the association constant of (L) with 4-(2-aminoethyl)benzene-1,2-diol is calculated to be 9868 M-1. Sensor (L) is found to be selective for 4-(2-aminoethyl)benzene-1,2-diol over aromatic amines, phenols, amino catechol (L-3,4-dihydroxyphenylalanine) and 4,6-ditertiarybutyl benzene-1,2-diol. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2013.02.015