1,1'-((1,1'-(pyridine-2,6-diyl)bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene))bis(3-(tert-pentyl)urea) | 1446433-66-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1,1'-((1,1'-(pyridine-2,6-diyl)bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene))bis(3-(tert-pentyl)urea)
• 英文别名: 1-(2-Methylbutan-2-yl)-3-[[1-[6-[4-[(2-methylbutan-2-ylcarbamoylamino)methyl]triazol-1-yl]pyridin-2-yl]triazol-4-yl]methyl]urea；1-(2-methylbutan-2-yl)-3-[[1-[6-[4-[(2-methylbutan-2-ylcarbamoylamino)methyl]triazol-1-yl]pyridin-2-yl]triazol-4-yl]methyl]urea
• CAS: 1446433-66-4
• 化学式: C₂₃H₃₅N₁₁O₂
• 分子量: 497.603
• InChiKey: VHRFSPSIEPLMCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  157
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,1'-((1,1'-(pyridine-2,6-diyl)bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene))bis(3-(tert-pentyl)urea) 、 四丁基溴化铵 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Preorganization in bistriazolyl anion receptors

  摘要：

  A series of 4,6-bis-(1,2,3-triazolyl)-pyrimidine and 4,6-bis-(1,2,3-triazolyl)-pyridine anion receptors were synthesized and the effect of the pyrimidine and pyridine moieties on their binding properties was examined. We found that intramolecular interactions preorganize the 4,6-bis-(1,2,3-triazolyl)-pyridine receptors resulting in higher anion binding constants in comparison with the nonpreorganized 4,6-bis-(1,2,3-triazolyl)-pyrimidine receptor. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.133
• 作为产物：
  描述：

  2,6-二氟吡啶 在 盐酸 、 sodium azide 、 tetrakis(actonitrile)copper(I) hexafluorophosphate 、 四丁基溴化铵 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 64.0h， 生成 1,1'-((1,1'-(pyridine-2,6-diyl)bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene))bis(3-(tert-pentyl)urea)
  参考文献：
  名称：

  Preorganization in bistriazolyl anion receptors

  摘要：

  A series of 4,6-bis-(1,2,3-triazolyl)-pyrimidine and 4,6-bis-(1,2,3-triazolyl)-pyridine anion receptors were synthesized and the effect of the pyrimidine and pyridine moieties on their binding properties was examined. We found that intramolecular interactions preorganize the 4,6-bis-(1,2,3-triazolyl)-pyridine receptors resulting in higher anion binding constants in comparison with the nonpreorganized 4,6-bis-(1,2,3-triazolyl)-pyrimidine receptor. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.133

文献信息

• Preorganization in bistriazolyl anion receptors
  作者：Tamara Merckx、Peter Verwilst、Wim Dehaen

  DOI：10.1016/j.tetlet.2013.05.133

  日期：2013.8

  A series of 4,6-bis-(1,2,3-triazolyl)-pyrimidine and 4,6-bis-(1,2,3-triazolyl)-pyridine anion receptors were synthesized and the effect of the pyrimidine and pyridine moieties on their binding properties was examined. We found that intramolecular interactions preorganize the 4,6-bis-(1,2,3-triazolyl)-pyridine receptors resulting in higher anion binding constants in comparison with the nonpreorganized 4,6-bis-(1,2,3-triazolyl)-pyrimidine receptor. (C) 2013 Elsevier Ltd. All rights reserved.