8,16-Bis(4-chlorophenyl)-3,5,11,13-tetramethyl-4,5,7,12,13,15-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1,3,6,8,10(14),11,15-heptaene | 1430094-03-3

• 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: 8,16-Bis(4-chlorophenyl)-3,5,11,13-tetramethyl-4,5,7,12,13,15-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1,3,6,8,10(14),11,15-heptaene
• 英文别名: 8,16-bis(4-chlorophenyl)-3,5,11,13-tetramethyl-4,5,7,12,13,15-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1,3,6,8,10(14),11,15-heptaene
• CAS: 1430094-03-3
• 化学式: C₂₆H₂₀Cl₂N₆
• 分子量: 487.391
• InChiKey: QJKYRBIOBIHORR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-氨基-1,3-二甲基吡唑 、 1-(4-chloro-phenyl)-2,2-dihydroxy-ethanone 在 丁酸 作用下， 反应 0.37h， 以65%的产率得到8,16-Bis(4-chlorophenyl)-3,5,11,13-tetramethyl-4,5,7,12,13,15-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1,3,6,8,10(14),11,15-heptaene
  参考文献：
  名称：

  Novel Double [3 + 2 + 1] Heteroannulation for Forming Unprecedented Dipyrazolo-Fused 2,6-Naphthyridines

  摘要：

  A novel four-component strategy for the efficient synthesis of unprecedented dipyrazolo-fused 2,6-naphthyridines through a double [3 + 2+1] heteroannulation has been described. The bond-forming efficiency, accessibility, and generality of this synthesis make it highly valuable to assemble tetra-heterocyclic scaffolds.

  DOI：

  10.1021/ol4008266

文献信息

• Novel Double [3 + 2 + 1] Heteroannulation for Forming Unprecedented Dipyrazolo-Fused 2,6-Naphthyridines
  作者：Wei Fan、Qin Ye、Hai-Wei Xu、Bo Jiang、Shu-Liang Wang、Shu-Jiang Tu

  DOI：10.1021/ol4008266

  日期：2013.5.3

  A novel four-component strategy for the efficient synthesis of unprecedented dipyrazolo-fused 2,6-naphthyridines through a double [3 + 2+1] heteroannulation has been described. The bond-forming efficiency, accessibility, and generality of this synthesis make it highly valuable to assemble tetra-heterocyclic scaffolds.