| 1426316-44-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• CAS: 1426316-44-0
• 化学式: C₁₉H₁₈Cl₂N₂O
• 分子量: 361.271
• InChiKey: SXIHRUGDMZRDLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  34.89
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  哌啶 、 以 乙腈 为溶剂， 反应 0.33h， 以60%的产率得到4-(4-chlorobenzyl)-2-(4-(piperidin-1-yl)butyl)phthalazin-1(2H)-one
  参考文献：
  名称：

  Microwave-Promoted Synthesis of Some Novel 4-(4-Methyl-phenyl)-Substituted Phthalazin-1-one Derivatives

  摘要：

  In this study, a series of 4-(4-methyl-phenyl)-substituted phthalazin-1-one derivatives have been synthesized with the combination of rapid microwave synthesis and phase-transfer catalyst methodology, which is characterized by very short reaction times and easy workup procedures and which can be exploited to generate some novel phthalazinone heterocycles. Substituted phthalazin-1-one derivatives have been synthesized from phthalyl derivatives as starting material. The structures of these compounds were confirmed by NMR and mass spectral studies.

  DOI：

  10.1080/00397911.2011.622847
• 作为产物：
  描述：

  4-氯苄亚基苯酞 在 十六烷基三甲基溴化铵 、 一水合肼 、 sodium hydroxide 作用下， 以 甲苯 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Microwave-Promoted Synthesis of Some Novel 4-(4-Methyl-phenyl)-Substituted Phthalazin-1-one Derivatives

  摘要：

  In this study, a series of 4-(4-methyl-phenyl)-substituted phthalazin-1-one derivatives have been synthesized with the combination of rapid microwave synthesis and phase-transfer catalyst methodology, which is characterized by very short reaction times and easy workup procedures and which can be exploited to generate some novel phthalazinone heterocycles. Substituted phthalazin-1-one derivatives have been synthesized from phthalyl derivatives as starting material. The structures of these compounds were confirmed by NMR and mass spectral studies.

  DOI：

  10.1080/00397911.2011.622847