4-(4-chlorobenzyl)-5,8-dichloro-2-(2-hydroxyethyl)-2H-phthalazin-1-one | 1132953-79-7

• 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-chlorobenzyl)-5,8-dichloro-2-(2-hydroxyethyl)-2H-phthalazin-1-one
• CAS: 1132953-79-7
• 化学式: C₁₇H₁₃Cl₃N₂O₂
• 分子量: 383.661
• InChiKey: PIVUICUQELJMBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.94
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  55.12
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-(4-chlorobenzyl)-5,8-dichloro-2-(2-hydroxyethyl)-2H-phthalazin-1-one 、 甲基肼 以51%的产率得到6-chloro-5-(4-chlorobenzyl)-3-(2-hydroxyethyl)-1-methyl-1,3-dihydropyrazolo[3,4,5-de]phthalazine
  参考文献：
  名称：

  Pyrazolo[3,4,5-de]phthalazine. Syntheses of a practically unknown heterocyclic system

  摘要：

  Simple procedures for the synthesis of 1,3-dihydropyrazolo[3,4,5-de]phthalazines (2), a practically novel type of heterocyclic compounds, have been developed. Compounds equally substituted at positions N-1 and N-3 can be directly obtained from 4,7-dihalogenated benzalphthalides (1). Those with different R-2 and R-3 substituents are prepared through intermediate phthalazin-1-ones (3), whose synthesis is also considered. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.12.072
• 作为产物：
  描述：

  2-肼基乙醇 、 4,7-dichloro-3-(4-chlorobenzylidene)-3H-isobenzofuran-1-one 在 silica gel 作用下， 反应 0.01h， 以39%的产率得到4-(4-chlorobenzyl)-5,8-dichloro-2-(2-hydroxyethyl)-2H-phthalazin-1-one
  参考文献：
  名称：

  Pyrazolo[3,4,5-de]phthalazine. Syntheses of a practically unknown heterocyclic system

  摘要：

  Simple procedures for the synthesis of 1,3-dihydropyrazolo[3,4,5-de]phthalazines (2), a practically novel type of heterocyclic compounds, have been developed. Compounds equally substituted at positions N-1 and N-3 can be directly obtained from 4,7-dihalogenated benzalphthalides (1). Those with different R-2 and R-3 substituents are prepared through intermediate phthalazin-1-ones (3), whose synthesis is also considered. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.12.072