methyl 2-(8-fluoro-5,6-dihydrophenanthridin-6-yl)acetate | 1374416-70-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: methyl 2-(8-fluoro-5,6-dihydrophenanthridin-6-yl)acetate
• CAS: 1374416-70-2
• 化学式: C₁₆H₁₄FNO₂
• 分子量: 271.291
• InChiKey: JMLKJOWCGALHOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.52
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  methyl 2-(8-fluoro-5,6-dihydrophenanthridin-6-yl)acetate 在 吡啶 、 lithium hydroxide monohydrate 、 水 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 生成 2-[5-(3,4-dichlorophenyl)sulfonyl-8-fluoro-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide
  参考文献：
  名称：

  Quinolinyl- and phenantridinyl-acetamides as bradykinin B1 receptor antagonists

  摘要：

  A new series of quinolinyl- and phenantridinyl-acetamides were synthesizer and evaluated against bradykinin B1 receptor. In vitro metabolic stability data were reported for the key compounds. The analgesic effect of compound 20 from the phenantridine series was proved in-vivo. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.065
• 作为产物：
  描述：

  4-氟苯硼酸 在 四(三苯基膦)钯 、 palladium diacetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 2-(8-fluoro-5,6-dihydrophenanthridin-6-yl)acetate
  参考文献：
  名称：

  Quinolinyl- and phenantridinyl-acetamides as bradykinin B1 receptor antagonists

  摘要：

  A new series of quinolinyl- and phenantridinyl-acetamides were synthesizer and evaluated against bradykinin B1 receptor. In vitro metabolic stability data were reported for the key compounds. The analgesic effect of compound 20 from the phenantridine series was proved in-vivo. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.065