| 1510006-39-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1510006-39-9
• 化学式: C₄₉H₁₅F₂₀N₅O₂Zn
• 分子量: 1151.05
• InChiKey: ZOCCTIPKNDOWKI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  甲醇 、 、 zinc(II) acetate dihydrate 反应 2.0h， 以87%的产率得到
  参考文献：
  名称：

  Macrocycle Contraction and Expansion of a Dihydrosapphyrin Isomer

  摘要：

  Cyclization of a pentapyrrane with two terminal beta-linked pyrroles afforded a dihydrosapphyrin isomer (1) with the pyrroles linked in a unique beta,alpha-alpha,beta mode, which was rather reactive, and thus it readily underwent a ring-contracted rearrangement to a pyrrolyl norrole (2), and succeeding ring expansion to a terpyrrole-containing isosmaragdyrin analogue (4). 1, 2, and 4 contain the internal ring pathways with a minimum of 17, 15, and 16 atoms, respectively. 1, 2, and 4 are almost nonfluorescent, whereas the complex of 2 with Zn2+ shows a distinct NIR emission peak at 741 nm. The unprecedented pyrrole transformation chemistry by confusion approach is illustrated.

  DOI：

  10.1021/ja4112644