3-(4-nitrophenyl)-6,8-dimethyl-7-thioxo-7,8-dihydropyrimido[4,5-c]pyridazin-5(6H)-one

• 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: 3-(4-nitrophenyl)-6,8-dimethyl-7-thioxo-7,8-dihydropyrimido[4,5-c]pyridazin-5(6H)-one
• 英文别名: 6,8-Dimethyl-3-(4-nitrophenyl)-7-sulfanylidenepyrimido[4,5-c]pyridazin-5-one；6,8-dimethyl-3-(4-nitrophenyl)-7-sulfanylidenepyrimido[4,5-c]pyridazin-5-one
• 化学式: C₁₄H₁₁N₅O₃S
• 分子量: 329.339
• InChiKey: SOIVMRFFOKRCBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  127
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对硝基苯乙酮 在 selenium(IV) oxide 、 盐酸肼 作用下， 以 1,4-二氧六环 、 乙醇 、 水 为溶剂， 反应 0.75h， 生成 3-(4-nitrophenyl)-6,8-dimethyl-7-thioxo-7,8-dihydropyrimido[4,5-c]pyridazin-5(6H)-one
  参考文献：
  名称：

  An efficient one-pot protocol for regioselective synthesis of 3-aryl-6,8-dialkyl-7-thioxo-7,8-dihydropyrimido[4,5-c] pyridazine-5(6H)-ones

  摘要：

  A series of 3-aryl-6,8-dialkyl-7-thioxo-7,8-dihydropyrimido[4,5-c]pyridazine-5(6H)-one derivatives have been regioselectively synthesized via the one-pot three-component reaction of 1,3-dimethylthiobarbituric acid and 1,3-diethylthiobarbituric acid with various arylglyoxals in the presence of hydrazinium dihydrochloride in warm ethanol. These new substituted pyrimidopyridazines may be potential monoamine oxidase inhibitors.[GRAPHICS].

  DOI：

  10.1080/17415993.2012.745126

文献信息

• Synthesis and characterization of a novel supported N-piperidine sulfamic acid on magnetic nanoparticles as a nanocatalyst for synthesis of pyrimido[4,5-c]pyridazines derivatives under ambient conditions and theoretical study on the mechanism using a DFT method
  作者：Nazanin Poormirzaei、Arezoo Mazaheri

  DOI：10.1007/s11164-020-04125-8

  日期：2020.5

  In this study, magnetic nanoparticles (Fe3O4 NPs) were employed as good support for N-piperidine sulfamic acid to prepare a novel nanocatalyst (SA-PPCA–Fe3O4 NPs). This nanocatalyst was then characterized by different techniques such as FT-IR, XRD, TGA, SEM, TEM and VSM. The catalytic activity of the SA-PPCA–Fe3O4 NPs was studied by one-pot preparation of pyrimido[4,5-c]pyridazines derivatives from three-component

  摘要 在这项研究中，磁性纳米颗粒（Fe 3 O 4 NPs）被用作N-哌啶氨基磺酸的良好载体，以制备新型纳米催化剂（SA-PPCA–Fe 3 O 4 NPs）。然后通过不同的技术，例如FT-IR，XRD，TGA，SEM，TEM和VSM对这种纳米催化剂进行表征。通过一锅法制备1,3-二甲基硫代巴比妥酸或1,3-二乙基硫代巴比妥酸的嘧啶并[4,5- c ]哒嗪衍生物，研究了SA-PPCA–Fe 3 O 4 NPs的催化活性。在环境条件下用不同的芳基乙二醛和肼一水合酸。SA-PPCA–Fe 3 O 4NP具有优异的优势，例如简单，高收率，反应时间短，易于使用外部磁体分离，生物环保，可回收性和可重复使用性，而催化效率却没有显着降低。在这项工作中，报道了密度泛函理论和建模以研究反应机理。实际上，这项研究提供了在SA-PPCA–Fe 3 O 4 NPs纳米催化剂存在下嘧啶并[4,5- c ]哒嗪反应机理的见解。
• An efficient one-pot protocol for regioselective synthesis of 3-aryl-6,8-dialkyl-7-thioxo-7,8-dihydropyrimido[4,5-<i>c</i>] pyridazine-5(6<i>H</i>)-ones
  作者：Jabbar Khalafy、Mehdi Rimaz、Hossein Rabiei、Leila Panahi

  DOI：10.1080/17415993.2012.745126

  日期：2013.8.1

  A series of 3-aryl-6,8-dialkyl-7-thioxo-7,8-dihydropyrimido[4,5-c]pyridazine-5(6H)-one derivatives have been regioselectively synthesized via the one-pot three-component reaction of 1,3-dimethylthiobarbituric acid and 1,3-diethylthiobarbituric acid with various arylglyoxals in the presence of hydrazinium dihydrochloride in warm ethanol. These new substituted pyrimidopyridazines may be potential monoamine oxidase inhibitors.[GRAPHICS].