4-(4-chlorophenyl)-6-methoxy-2H-phtalazin-1-ol | 850903-65-0

• 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: 4-(4-chlorophenyl)-6-methoxy-2H-phtalazin-1-ol
• 英文别名: 4-(4-chlorophenyl)-6-methoxy-2H-phthalazin-1-one
• CAS: 850903-65-0
• 化学式: C₁₅H₁₁ClN₂O₂
• 分子量: 286.718
• InChiKey: OATLHEGQTJSGET-UHFFFAOYSA-N

物化性质

• 熔点：
  256-261 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 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：
  50.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-chlorophenyl)-6-methoxy-2H-phtalazin-1-ol 以 甲醇 、 水 为溶剂， 反应 121.5h， 生成 4-(4-chlorophenyl)-2-(dimethylaminomethyl)-6-methoxy-2H-phtalazin-1-one
  参考文献：
  名称：

  A Practical Approach for Preparation of 2‐[(Dialkylamino)‐methyl]‐4‐aryl‐2H‐phthalazin‐1‐ones via Mannich Reaction of 4‐Aryl‐2H‐phthalazin‐1‐ones

  摘要：

  Synthesis of 4-aryl-2H-phthalazin-1-ones 5 and their successive conversion, via the Mannich reaction into 2-[(dialkylamino)-methyl]-4-aryl-2H-phthalazin-1-ones 6, 7, 8, 9 as a way of regiospecific transformation of the 4-methoxybenzanilide 1, is described. In addition, the compounds 5b and 7 appeared to be effective complexing ligands for such metal as Cu(II), Ni(II), Fe(II), and Fe(III).

  DOI：

  10.1081/scc-200048404
• 作为产物：
  描述：

  对氯苯甲酸甲酯 在 一水合肼 作用下， 以 四氢呋喃 、 丙醇 、 正己烷 为溶剂， 反应 110.0h， 生成 4-(4-chlorophenyl)-6-methoxy-2H-phtalazin-1-ol
  参考文献：
  名称：

  A Practical Approach for Preparation of 2‐[(Dialkylamino)‐methyl]‐4‐aryl‐2H‐phthalazin‐1‐ones via Mannich Reaction of 4‐Aryl‐2H‐phthalazin‐1‐ones

  摘要：

  Synthesis of 4-aryl-2H-phthalazin-1-ones 5 and their successive conversion, via the Mannich reaction into 2-[(dialkylamino)-methyl]-4-aryl-2H-phthalazin-1-ones 6, 7, 8, 9 as a way of regiospecific transformation of the 4-methoxybenzanilide 1, is described. In addition, the compounds 5b and 7 appeared to be effective complexing ligands for such metal as Cu(II), Ni(II), Fe(II), and Fe(III).

  DOI：

  10.1081/scc-200048404

文献信息

• A Practical Approach for Preparation of 2‐[(Dialkylamino)‐methyl]‐4‐aryl‐2<i>H</i>‐phthalazin‐1‐ones via Mannich Reaction of 4‐Aryl‐2<i>H</i>‐phthalazin‐1‐ones
  作者：Jan Epsztajn、Zbigniew Malinowski、Paweł Urbaniak、Grzegorz Andrijewski

  DOI：10.1081/scc-200048404

  日期：2005.1

  Synthesis of 4-aryl-2H-phthalazin-1-ones 5 and their successive conversion, via the Mannich reaction into 2-[(dialkylamino)-methyl]-4-aryl-2H-phthalazin-1-ones 6, 7, 8, 9 as a way of regiospecific transformation of the 4-methoxybenzanilide 1, is described. In addition, the compounds 5b and 7 appeared to be effective complexing ligands for such metal as Cu(II), Ni(II), Fe(II), and Fe(III).