2,8,14,20,26,32,38-Heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene | 1032745-47-3

• 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: 2,8,14,20,26,32,38-Heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene
• 英文别名: 2,8,14,20,26,32,38-heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene
• CAS: 1032745-47-3
• 化学式: C₄₂H₄₂N₁₄
• 分子量: 742.889
• InChiKey: JMBZENCKIVELLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  56
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  2,8,14,20,26,32,38-Heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene 、 silver trifluoromethanesulfonate 在 [1,3,5-(CCAg)₃-C₆H₃]_n 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.17h， 以43%的产率得到
  参考文献：
  名称：

  Designed synthesis of a metal cluster-pillared coordination cage

  摘要：

  通过一种大循环定向策略，构建了一种前所未有的多核金属簇柱三角棱镜。通过单晶 X 射线晶体学和光谱学研究，对三种银簇参与的金属超分子的离散结构进行了表征。

  DOI：

  10.1039/c2cc36250c
• 作为产物：
  描述：

  N2,N2'-(pyridine-2,6-diyl)bis(N2,N6-dimethylpyridine-2,6-diamine) 、 N2-(6-bromopyridin-2-yl)-N6-(6-((6-bromopyridin-2-yl)(methyl)amino)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine 在 tris(dibenzylideneacetone)dipalladium (0) 、 1,3-双(二苯基膦)丙烷 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 8.0h， 以37%的产率得到2,8,14,20,26,32,38-Heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene
  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