1-(4-Fluorophenyl)-4-phenoxyphthalazine | 155937-31-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-(4-Fluorophenyl)-4-phenoxyphthalazine
• CAS: 155937-31-8
• 化学式: C₂₀H₁₃FN₂O
• 分子量: 316.334
• InChiKey: RMTOZKXFBSDLEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-Fluorophenyl)-4-phenoxyphthalazine 在 乙酸铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 Ethyl 4-[1-amino-4-(4-fluorophenyl)phthalazin-2-ium-2-yl]butanoate;bromide
  参考文献：
  名称：

  Synthesis and structure-activity relationships of 1-aminophthalazinium salts as GABAA receptor antagonists

  摘要：

  The synthesis and in vitro GABA(A) activity as GABA(A) antagonists of some 1-aminophthalazinium salts and imidazophthalazines are reported. Structure-activity relationships and a molecular, modelling study allowed us to define the features which determine receptor affinity within this class of compounds.

  DOI：

  10.1016/0223-5234(94)90205-4
• 作为产物：
  描述：

  4-(4-fluoro-phenyl)-2H-phthalazin-1-one 在 potassium carbonate 、 三氯氧磷 作用下， 反应 2.5h， 生成 1-(4-Fluorophenyl)-4-phenoxyphthalazine
  参考文献：
  名称：

  Synthesis and structure-activity relationships of 1-aminophthalazinium salts as GABAA receptor antagonists

  摘要：

  The synthesis and in vitro GABA(A) activity as GABA(A) antagonists of some 1-aminophthalazinium salts and imidazophthalazines are reported. Structure-activity relationships and a molecular, modelling study allowed us to define the features which determine receptor affinity within this class of compounds.

  DOI：

  10.1016/0223-5234(94)90205-4

文献信息

• Synthesis and structure-activity relationships of 1-aminophthalazinium salts as GABAA receptor antagonists
  作者：V Colotta、L Cecchi、D Catarzi、G Filacchioni、A Galli、F Mori

  DOI：10.1016/0223-5234(94)90205-4

  日期：1994.1

  The synthesis and in vitro GABA(A) activity as GABA(A) antagonists of some 1-aminophthalazinium salts and imidazophthalazines are reported. Structure-activity relationships and a molecular, modelling study allowed us to define the features which determine receptor affinity within this class of compounds.