(4-Chloro-cinnolin-3-yl)-phenyl-methanone | 173415-28-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4-Chloro-cinnolin-3-yl)-phenyl-methanone
• 英文别名: (4-Chlorocinnolin-3-yl)-phenylmethanone
• CAS: 173415-28-6
• 化学式: C₁₅H₉ClN₂O
• 分子量: 268.702
• InChiKey: PGSBKVJSMRFRPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙二胺 、 (4-Chloro-cinnolin-3-yl)-phenyl-methanone 反应 3.0h， 以93%的产率得到2,3-dihydro-1H-5-phenylcinnolino<3,4-b><1,4>diazepine
  参考文献：
  名称：

  Metallation of diazines XIV. First O-directed metallation of cinnolines. Metallation of 3-, 4-chloro and 3-, 4-methoxycinnolines

  摘要：

  The lithiation of 3-, 4-chloro and 3-, 4-methoxycinnolines was studied and good yields were obtained. When iodine was used as electrophile, 4,8-diiodo or 4,8-iodochloro compounds were prepared. A xanthone and diazepines were synthetized.

  DOI：

  10.1016/0040-4020(95)00835-v
• 作为产物：
  描述：

  (4-chloro-3-cinnolinyl)phenylmethanol 在 manganese(IV) oxide 作用下， 以 甲苯 为溶剂， 反应 15.0h， 以88%的产率得到(4-Chloro-cinnolin-3-yl)-phenyl-methanone
  参考文献：
  名称：

  Metallation of diazines XIV. First O-directed metallation of cinnolines. Metallation of 3-, 4-chloro and 3-, 4-methoxycinnolines

  摘要：

  The lithiation of 3-, 4-chloro and 3-, 4-methoxycinnolines was studied and good yields were obtained. When iodine was used as electrophile, 4,8-diiodo or 4,8-iodochloro compounds were prepared. A xanthone and diazepines were synthetized.

  DOI：

  10.1016/0040-4020(95)00835-v