1-[[4-[[6-[[4-(benzimidazol-1-ylmethyl)phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methyl]benzimidazole | 444307-43-1

• 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-[[4-[[6-[[4-(benzimidazol-1-ylmethyl)phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methyl]benzimidazole
• CAS: 444307-43-1
• 化学式: C₃₅H₂₉N₅O₂
• 分子量: 551.648
• InChiKey: GPCSSCZDAXCTMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.04
• 重原子数：
  42.0
• 可旋转键数：
  10.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  66.99
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2,6-双(溴甲基)吡啶 、 1-[[4-[[6-[[4-(benzimidazol-1-ylmethyl)phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methyl]benzimidazole 以 乙腈 为溶剂， 反应 120.0h， 以69%的产率得到
  参考文献：
  名称：

  Synthesis of intra-annularly functionalized cationic pyridinophanes

  摘要：

  The precyclophane 1 derived from 2,6-bis(bromomethyl)pyridine and 2.1 equiv. of benzimidazole afforded pyridinobenz-imidazolophanes 6-8 on further reaction with I equiv. of 2,6-bis(bromomethyl)pyridine, 3,5 -bis(bromomethyl) ani sole and 1,3-bis(bromomethyl)-4-nitrophenol, respectively. A similar synthetic strategy was used for the synthesis of pyridinobenzotriazolophanes 9-11. Potential receptors 16 and 17 were also synthesized. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)01226-1
• 作为产物：
  描述：

  2,6-双(溴甲基)吡啶 在 sodium hydroxide 、 sodium tetrahydroborate 、 三溴化磷 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 96.0h， 生成 1-[[4-[[6-[[4-(benzimidazol-1-ylmethyl)phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methyl]benzimidazole
  参考文献：
  名称：

  Synthesis of intra-annularly functionalized cationic pyridinophanes

  摘要：

  The precyclophane 1 derived from 2,6-bis(bromomethyl)pyridine and 2.1 equiv. of benzimidazole afforded pyridinobenz-imidazolophanes 6-8 on further reaction with I equiv. of 2,6-bis(bromomethyl)pyridine, 3,5 -bis(bromomethyl) ani sole and 1,3-bis(bromomethyl)-4-nitrophenol, respectively. A similar synthetic strategy was used for the synthesis of pyridinobenzotriazolophanes 9-11. Potential receptors 16 and 17 were also synthesized. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)01226-1