(1Z,6Z)-2,7,12,21-tetraphenyl-13-oxa-16,25,27,28-tetrazaheptacyclo[13.9.2.13,6.18,11.012,17.016,20.022,25]octacosa-1,3(28),4,6,8,10,15(26),17,19,21,23-undecaene | 131074-83-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (1Z,6Z)-2,7,12,21-tetraphenyl-13-oxa-16,25,27,28-tetrazaheptacyclo[13.9.2.13,6.18,11.012,17.016,20.022,25]octacosa-1,3(28),4,6,8,10,15(26),17,19,21,23-undecaene
• CAS: 131074-83-4
• 化学式: C₄₇H₃₂N₄O
• 分子量: 668.797
• InChiKey: UVEJMCGGUDOJNG-UIEBMSSGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  52
• 可旋转键数：
  4
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  45.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N²¹,N²²-(Hydroxymethyletheno)-meso-tetraphenylporphin hydroperchlorate 在 sodium hydroxide 作用下， 以60%的产率得到(1Z,6Z)-2,7,12,21-tetraphenyl-13-oxa-16,25,27,28-tetrazaheptacyclo[13.9.2.13,6.18,11.012,17.016,20.022,25]octacosa-1,3(28),4,6,8,10,15(26),17,19,21,23-undecaene
  参考文献：
  名称：

  Formation of N²¹,N²²-Etheno-BridgedMeso-Tetraphenylphlorins

  摘要：

  N21,N22-(1,2-Diphenyletheno)-meso-tetraphenylporphin hydroperchlorate was reduced by NaBH4 to the 5H-phlorin and deprotonated by NaOH to the free base. However, the N21,N22-hydroxymethyletheno derivative underwent intramolecular attack of the bridge hydroxy group on the 10-meso position to give the novel 10H-phlorin under basic conditions.

  DOI：

  10.1246/cl.1990.1351