1-amino-4-benzylphthalazine | 155936-78-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-amino-4-benzylphthalazine
• 英文别名: 4-benzylphthalazin-1-amine
• CAS: 155936-78-0
• 化学式: C₁₅H₁₃N₃
• 分子量: 235.288
• InChiKey: RKVAYHOEZQMHNL-UHFFFAOYSA-N

物化性质

• 沸点：
  501.1±40.0 °C(predicted)
• 密度：
  1.227±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-amino-4-benzylphthalazine 在 氢溴酸 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 4-(4-Amino-1-benzylphthalazin-2-ium-2-yl)butanoic acid;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：

  1-benzyl-4-phenoxy-phthalazine 在 乙酸铵 作用下， 反应 0.5h， 以93%的产率得到1-amino-4-benzylphthalazine
  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.