6-(4-methylphenyl)-4-(2-methoxybenzyl)-3-chloropyridazine | 121137-84-6

• 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: 6-(4-methylphenyl)-4-(2-methoxybenzyl)-3-chloropyridazine
• 英文别名: 3-Chloro-4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazine
• CAS: 121137-84-6
• 化学式: C₁₉H₁₇ClN₂O
• 分子量: 324.81
• InChiKey: PVICKPUKQLZWQA-UHFFFAOYSA-N

物化性质

• 熔点：
  145-147 °C
• 沸点：
  496.1±40.0 °C(Predicted)
• 密度：
  1.190±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(4-methylphenyl)-4-(2-methoxybenzyl)-3-chloropyridazine 在 hydrazine hydrate 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 3-[2-(4-(2-methoxybenzyl)-6-ptolylpyridazin-3-yl)hydrazono]-5-methylindolin-2-one
  参考文献：
  名称：

  Antiproliferative effects of metal complexes of new isatin hydrazones against HCT116, MCF7 and HELA tumour cell lines

  摘要：

  New hydrazone ligands (HL) derived from 5-substituted isatins and 1-(4-(2-methoxybenzyl)-6-arylpyridazin-3-yl) hydrazines and its complexes with Co(II) and Cu(II) were synthesized. The new hydrazones and their complexes were characterized by means of elemental, spectral analyses and magnetic studies. Primary cytotoxicity evaluation of HL 5a and the new complexes showed that these complexes could act as anticancer agents since they reduced the growth of samples of human tumour cell lines (HCT116((Colon)), MCF7((Breast)) and HELA((Cervix))) to <= 18.5 mu g/mL for the new complexes.

  DOI：

  10.3109/14756366.2011.588950
• 作为产物：
  描述：

  邻甲氧基苯甲醛 在 potassium hydroxide 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 生成 6-(4-methylphenyl)-4-(2-methoxybenzyl)-3-chloropyridazine
  参考文献：
  名称：

  Antiproliferative effects of metal complexes of new isatin hydrazones against HCT116, MCF7 and HELA tumour cell lines

  摘要：

  New hydrazone ligands (HL) derived from 5-substituted isatins and 1-(4-(2-methoxybenzyl)-6-arylpyridazin-3-yl) hydrazines and its complexes with Co(II) and Cu(II) were synthesized. The new hydrazones and their complexes were characterized by means of elemental, spectral analyses and magnetic studies. Primary cytotoxicity evaluation of HL 5a and the new complexes showed that these complexes could act as anticancer agents since they reduced the growth of samples of human tumour cell lines (HCT116((Colon)), MCF7((Breast)) and HELA((Cervix))) to <= 18.5 mu g/mL for the new complexes.

  DOI：

  10.3109/14756366.2011.588950

文献信息

• Reactivity of pyridazin-3(2H) thiones
  作者：N. G. Kandile、H. T. Zaky、M. I. Mohamed、Abdel-Sattar S. Hamad Elgazwy

  DOI：10.1002/hc.10157

  日期：——

  4,6-Disubstituted pyridazin-3(2H) thiones 3a–f were prepared by thiation of 4,6-disubstituted pyridazin-3(2H)-one 1a–f either with thiourea or phosphorus pentasulphide. The reactivity of 3a-f towards nucleophilic and electrophilic species under different conditions was studied successively. The structure of the products was confirmed by NMR and mass spectral data. Mechanisms for their formation are

  4,6-二取代哒嗪-3(2H) 硫酮 3a-f 是通过 4,6-二取代哒嗪-3(2H)-one 1a-f 与硫脲或五硫化二磷硫合制备的。先后研究了 3a-f 在不同条件下对亲核和亲电物种的反应性。产物的结构由NMR和质谱数据证实。还提出了它们的形成机制。© 2003 Wiley Periodicals, Inc. 杂原子化学 14:334–341, 2003; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.10157
• Novel Synthesis and Antibacterial Activity of Some Pyridazine Derivatives
  作者：M. I. Mohamed、H. T. Zaky、N. G. Kandile

  DOI：10.1002/jccs.200400143

  日期：2004.10

  3-chloropyridazines and pyridazin-3(2H)-thiones were synthesized and treated with the sulpha drug (knowing by sulphamethoxazole). All the new compounds were evaluated for their antibacterial activity. They showed significant antibacterial activity against Staphylococcus aureus and Bacillus subtilis (Gram + ve) and E. coli, Pseudomonas aeruginosa and Yersinia enterocolitica (Gram - ve) bacteria by agar plate diffusion

  合成了各种哒嗪-3(2H)-酮、3-氯哒嗪和哒嗪-3(2H)-硫酮，并用磺胺类药物（已知磺胺甲恶唑）处理。评估了所有新化合物的抗菌活性。琼脂平板扩散法对金黄色葡萄球菌、枯草芽孢杆菌（Gram+ve）和大肠杆菌、铜绿假单胞菌和小肠结肠炎耶尔森菌（Gram-ve）等细菌表现出显着的抗菌活性。所有提出的结构均通过 IR、1H NMR、质谱和元素分析得到证实。
• Kandile, Nadia Garib; El-Oawi, Emtithal Ahmed; Seliem, Violet Ragab, Acta Chimica Hungarica, 1988, vol. 125, # 4, p. 631 - 646
  作者：Kandile, Nadia Garib、El-Oawi, Emtithal Ahmed、Seliem, Violet Ragab、Ismail, Mohamed Fekry

  DOI：——

  日期：——
• KANDILE, NADIA GARIB;EL-OAWI, EMTITHAL AHMED;SELIEM, VIOLET RAGAB;FEKRY, +, ACTA CHIM. HUNG., 125,(1988) N, C. 631-639
  作者：KANDILE, NADIA GARIB、EL-OAWI, EMTITHAL AHMED、SELIEM, VIOLET RAGAB、FEKRY, +

  DOI：——

  日期：——