2-[5-(4-methoxyphenyl)-6H-1,3,4-thiadiazin-2-yl]-2,3-dihydrophthalazine-1,4-dione | 1420345-36-3

• 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: 2-[5-(4-methoxyphenyl)-6H-1,3,4-thiadiazin-2-yl]-2,3-dihydrophthalazine-1,4-dione
• 英文别名: 3-[5-(4-methoxyphenyl)-6H-1,3,4-thiadiazin-2-yl]-2H-phthalazine-1,4-dione
• CAS: 1420345-36-3
• 化学式: C₁₈H₁₄N₄O₃S
• 分子量: 366.4
• InChiKey: BABYOEZBEORLHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  苯酐 、 硫代卡巴肼 、 alpha-溴-4-甲氧基苯乙酮 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以78%的产率得到2-[5-(4-methoxyphenyl)-6H-1,3,4-thiadiazin-2-yl]-2,3-dihydrophthalazine-1,4-dione
  参考文献：
  名称：

  Synthesis of Aryl and Heteryl 1,3,4-Thiadiazinyl-phthalazine-1,4-dione Derivatives via a Multicomponent Approach

  摘要：

  An expeditious one-pot method has been developed for the synthesis of aryl, heteryl thiadiazinyl-phthalazine-1,4-diones via a multicomponent approach. Reaction of phenacyl bromides with thiocarbohydrazide and phthalic anhydride afforded corresponding aryl thiadiazinyl-phthalazine-1,4-diones. Similarly, reaction of 3-(2-bromoacetyl)coumarins with thiocarbohydrazide and phthalic anhydride afforded required heteryl thiadiazinyl-phthalazine-1,4-diones under the same reaction conditions in excellent yields. The structure of all the synthesized compounds was confirmed from their analytical and spectral data.

  DOI：

  10.1080/00397911.2011.604147

文献信息

• Synthesis of Aryl and Heteryl 1,3,4-Thiadiazinyl-phthalazine-1,4-dione Derivatives via a Multicomponent Approach
  作者：Venkata Sreenivasa Rao Chunduru、Vedula Rajeswar Rao

  DOI：10.1080/00397911.2011.604147

  日期：2013.3.1

  An expeditious one-pot method has been developed for the synthesis of aryl, heteryl thiadiazinyl-phthalazine-1,4-diones via a multicomponent approach. Reaction of phenacyl bromides with thiocarbohydrazide and phthalic anhydride afforded corresponding aryl thiadiazinyl-phthalazine-1,4-diones. Similarly, reaction of 3-(2-bromoacetyl)coumarins with thiocarbohydrazide and phthalic anhydride afforded required heteryl thiadiazinyl-phthalazine-1,4-diones under the same reaction conditions in excellent yields. The structure of all the synthesized compounds was confirmed from their analytical and spectral data.