methyl 2-(3-allyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-3-methoxyacrylate | 1316307-82-0

• 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: methyl 2-(3-allyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-3-methoxyacrylate
• CAS: 1316307-82-0
• 化学式: C₁₆H₁₆N₂O₄
• 分子量: 300.314
• InChiKey: STPOLEGRKZQDLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.74
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  70.42
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  水杨醛肟 、 methyl 2-(3-allyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-3-methoxyacrylate 在 N-氯代丁二酰亚胺 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.5h， 以46%的产率得到methyl 2-(3-((3-(2-hydroxyphenyl)-4,5-dihydro-isoxazol-5-yl)methyl)-4-oxo-3,4-dihydrophthalazin-1-yl)-3-methoxyacrylate
  参考文献：
  名称：

  Synthesis, antimicrobial and cytotoxicity studies of some novel modified Strobilurin derivatives

  摘要：

  A series of some new 3-isoxazoline substituted methyl-3-methoxy-2-(4-oxo-3,4-dihydrophthalazin-1-yl)prop-2-enoate derivatives were designed and synthesized from methyl-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate, which in turn was prepared from phthalic anhydride. The structures of synthesized new compounds were characterized by spectral data and studied for their antimicrobial activities and cytotoxicity. Several of these compounds showed good antimicrobial activity.

  DOI：

  10.1590/s0103-50532011000500006
• 作为产物：
  描述：

  methyl 3,4-dihydro-4-oxo-1-phthalazineacetate 在 sodium hydride 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 paraffin oil 为溶剂， 反应 21.0h， 生成 methyl 2-(3-allyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-3-methoxyacrylate
  参考文献：
  名称：

  Synthesis, antimicrobial and cytotoxicity studies of some novel modified Strobilurin derivatives

  摘要：

  A series of some new 3-isoxazoline substituted methyl-3-methoxy-2-(4-oxo-3,4-dihydrophthalazin-1-yl)prop-2-enoate derivatives were designed and synthesized from methyl-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate, which in turn was prepared from phthalic anhydride. The structures of synthesized new compounds were characterized by spectral data and studied for their antimicrobial activities and cytotoxicity. Several of these compounds showed good antimicrobial activity.

  DOI：

  10.1590/s0103-50532011000500006