5-[(2-甲氧基苯基)甲基]-3-(4-甲基苯基)-1H-哒嗪-6-酮 | 121137-73-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 5-[(2-甲氧基苯基)甲基]-3-(4-甲基苯基)-1H-哒嗪-6-酮
• 英文名称: 4-(2-methoxyphenylmethyl)-6-(4-tolyl)-pyridazine-3(2H)-one
• 英文别名: 4-[(2-Methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3(2H)-one；5-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1H-pyridazin-6-one
• CAS: 121137-73-3
• 化学式: C₁₉H₁₈N₂O₂
• 分子量: 306.364
• InChiKey: KTENEXKTVAZUNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 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：
  50.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-[(2-甲氧基苯基)甲基]-3-(4-甲基苯基)-1H-哒嗪-6-酮 在 sodium hydroxide 、 硫脲 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 19.0h， 生成 3-[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]sulfanylpropanenitrile
  参考文献：
  名称：

  Kandile, Nadia Garib; El-Oawi, Emtithal Ahmed; Seliem, Violet Ragab, Acta Chimica Hungarica, 1988, vol. 125, # 4, p. 631 - 646

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3,4,5-四氢-6-(4-甲基苯基)-3-哒嗪酮 、 邻甲氧基苯甲醛 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 生成 5-[(2-甲氧基苯基)甲基]-3-(4-甲基苯基)-1H-哒嗪-6-酮
  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
• Kandile, N. G.; Soliman, A. A.; El Sawi, E. A., Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1989, vol. 19, p. 779 - 786
  作者：Kandile, N. G.、Soliman, A. A.、El Sawi, E. A.

  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：——
• KANDILE, N. G.;SOLIMAN, A. A.;EL, SAWI E. A., SYNTH. AND REACT. INORG. AND MET.-ORG. CHEM., 19,(1989) N, C. 779-786
  作者：KANDILE, N. G.、SOLIMAN, A. A.、EL, SAWI E. A.

  DOI：——

  日期：——