N2-(6-bromopyridin-2-yl)-N6-(6-((6-bromopyridin-2-yl)(methyl)amino)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine | 1032745-41-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N2-(6-bromopyridin-2-yl)-N6-(6-((6-bromopyridin-2-yl)(methyl)amino)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine
• CAS: 1032745-41-7
• 化学式: C₂₃H₂₁Br₂N₇
• 分子量: 555.275
• InChiKey: JHIVTIFGXQOZPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  61.28
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  N2-(6-bromopyridin-2-yl)-N6-(6-((6-bromopyridin-2-yl)(methyl)amino)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine 、 甲胺 在 sodium carbonate 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 24.0h， 以91%的产率得到N2,N6-dimethyl-N2-(6-(methyl(6-(methylamino)pyridin-2-yl)amino)pyridin-2-yl)-N6-(6-(methylamino)pyridin-2-yl)pyridine-2,6-diamine
  参考文献：
  名称：

  Synthesis of Large Macrocyclic Azacalix[n]pyridines (n = 6 − 9) and Their Complexation with Fullerenes C₆₀ and C₇₀

  摘要：

  Large methylazacalix[n]pyridines (n = 6-9) were synthesized effectively from the Pd-catalyzed macrocyclic fragment coupling reactions between alpha,omega-dibrominated and alpha,omega-diaminated linear oligomers. As macrocyclic host molecules, they formed a 1:1 complex with fullerenes C-60 and C-70 with association constants ranging from 3 x 10(4) to 1 x 10(5) M-1.

  DOI：

  10.1021/ol800840m
• 作为产物：
  描述：

  2,6-二溴吡啶 、 N-methyl-bis(6-methylaminopyridin-2-yl)amine 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以94%的产率得到N2-(6-bromopyridin-2-yl)-N6-(6-((6-bromopyridin-2-yl)(methyl)amino)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine
  参考文献：
  名称：

  Synthesis of Large Macrocyclic Azacalix[n]pyridines (n = 6 − 9) and Their Complexation with Fullerenes C₆₀ and C₇₀

  摘要：

  Large methylazacalix[n]pyridines (n = 6-9) were synthesized effectively from the Pd-catalyzed macrocyclic fragment coupling reactions between alpha,omega-dibrominated and alpha,omega-diaminated linear oligomers. As macrocyclic host molecules, they formed a 1:1 complex with fullerenes C-60 and C-70 with association constants ranging from 3 x 10(4) to 1 x 10(5) M-1.

  DOI：

  10.1021/ol800840m