4-(4-chlorobenzyl)-2-(2-(2-methoxyphenoxy)ethyl)phthalazin-1(2H)-one | 1426316-48-4

• 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: 4-(4-chlorobenzyl)-2-(2-(2-methoxyphenoxy)ethyl)phthalazin-1(2H)-one
• 英文别名: 4-[(4-Chlorophenyl)methyl]-2-[2-(2-methoxyphenoxy)ethyl]phthalazin-1-one；4-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenoxy)ethyl]phthalazin-1-one
• CAS: 1426316-48-4
• 化学式: C₂₄H₂₁ClN₂O₃
• 分子量: 420.895
• InChiKey: CIMXEJUBRRRFDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 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 4-(4-chlorobenzyl)-2-(2-(2-methoxyphenoxy)ethyl)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

文献信息

• Microwave-Promoted Synthesis of Some Novel 4-(4-Methyl-phenyl)-Substituted Phthalazin-1-one Derivatives
  作者：Freddy H. Havaldar、Bhushan V. Dabholkar、Ganesh B. Mule

  DOI：10.1080/00397911.2011.622847

  日期：2013.4.18

  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.