7,8,9,10-tetrahydro-4-phenyl-6H-cycloheptaphthalazin-1(2H)-one | 173463-61-1

• 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: 7,8,9,10-tetrahydro-4-phenyl-6H-cycloheptaphthalazin-1(2H)-one
• 英文别名: 2,6,7,8,9,10-hexahydro-4-phenyl-1H-cyclohepta[g]phthalazin-1-one；1-Phenyl-3,6,7,8,9,10-hexahydrocyclohepta[g]phthalazin-4-one
• CAS: 173463-61-1
• 化学式: C₁₉H₁₈N₂O
• 分子量: 290.365
• InChiKey: RZUMTHMXIBHYBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7,8,9,10-tetrahydro-4-phenyl-6H-cycloheptaphthalazin-1(2H)-one 在 N,N-二乙基苯胺 、 三氯氧磷 作用下， 反应 2.0h， 以57%的产率得到1-Chloro-4-phenyl-7,8,9,10-tetrahydro-6H-2,3-diaza-cyclohepta[b]naphthalene
  参考文献：
  名称：

  Haider, Norbert; Steinwender, Andreas, Scientia Pharmaceutica, 1996, vol. 64, # 3-4, p. 399 - 405

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(1-环庚烯-1-基)吡咯烷 、 4-phenylpyridazino<4,5-d>pyridazin-1(2H)-one 在 溶剂黄146 作用下， 生成 7,8,9,10-tetrahydro-4-phenyl-6H-cycloheptaphthalazin-1(2H)-one
  参考文献：
  名称：

  Convenient Synthesis of Cycloalkene-fused Phthalazinones

  摘要：

  A series of cycloalkene-annelated phthalazin-1(2H)-ones (2-5) was prepared in high yields by a one-pot procedure, employing pyridazino[4,5-d]pyridazin-1(2H)-ones (1) as azadienes and cyclic enamines as dienophiles in an inverse-electron-demand Diels-Alder reaction, followed by acid-catalyzed aromatization.

  DOI：

  10.3987/com-95-7200

文献信息

• Synthesis of 2-[2-(1-Imidazolyl)ethyl]-4-phenylcycloalka[g]phthalazin-1(2H)-ones as Thromboxane A2 Synthase Inhibitors
  作者：Norbert Haider、Rolf W. Hartmann、Andreas Steinwender

  DOI：10.1002/(sici)1521-4184(199911)332:11<408::aid-ardp408>3.0.co;2-p

  日期：1999.11

  A series of 2-[2-(1-imidazolyl)ethyl]-4-phenylcycloalka[g]phthalazin-1(2H)-ones (3a-d) with variable cycloalkene ring size was prepared and tested in vitro for thromboxane A(2) synthase inhibitory activity.
• Haider, Norbert; Steinwender, Andreas, Scientia Pharmaceutica, 1996, vol. 64, # 3-4, p. 399 - 405
  作者：Haider, Norbert、Steinwender, Andreas

  DOI：——

  日期：——
• Convenient Synthesis of Cycloalkene-fused Phthalazinones
  作者：Norbert Haider

  DOI：10.3987/com-95-7200

  日期：——

  A series of cycloalkene-annelated phthalazin-1(2H)-ones (2-5) was prepared in high yields by a one-pot procedure, employing pyridazino[4,5-d]pyridazin-1(2H)-ones (1) as azadienes and cyclic enamines as dienophiles in an inverse-electron-demand Diels-Alder reaction, followed by acid-catalyzed aromatization.