4-(9-fluorenoxy)-2-phenylphthalazin-1(2H)-one | 188999-14-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 4-(9-fluorenoxy)-2-phenylphthalazin-1(2H)-one
• 英文别名: 4-[(9H-Fluoren-9-yl)oxy]-2-phenylphthalazin-1(2H)-one；4-(9H-fluoren-9-yloxy)-2-phenylphthalazin-1-one
• CAS: 188999-14-6
• 化学式: C₂₇H₁₈N₂O₂
• 分子量: 402.452
• InChiKey: WOQKRIZRERHIQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  9-溴芴 、 2-苯基-3H-酞嗪-1,4-二酮 在 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 生成 4-(9-fluorenoxy)-2-phenylphthalazin-1(2H)-one
  参考文献：
  名称：

  4-(9-Fluorenoxy)-2-phenylphthalazin-1(2H)-one

  摘要：

  The title compound, C27H18N2O2, was prepared from the reaction of the ambidentate anion of 2-phenyl-1,2,3, 4-tetrahydrophthalazine-1,4-dione with 9-bromo-fluorene. The phthalazinone ring is nearly planar, edge-to-face aromatic-aromatic geometry is observed and the fluorenyl moiety is nearly perpendicular to the phenyl ring [88.15(9)degrees].

  DOI：

  10.1107/s0108270196015156

文献信息

• 4-(9-Fluorenoxy)-2-phenylphthalazin-1(2<i>H</i>)-one
  作者：M. J. Bausch、P. D. Robinson、Y. Gong

  DOI：10.1107/s0108270196015156

  日期：1997.4.15

  The title compound, C27H18N2O2, was prepared from the reaction of the ambidentate anion of 2-phenyl-1,2,3, 4-tetrahydrophthalazine-1,4-dione with 9-bromo-fluorene. The phthalazinone ring is nearly planar, edge-to-face aromatic-aromatic geometry is observed and the fluorenyl moiety is nearly perpendicular to the phenyl ring [88.15(9)degrees].