4-cyano-5,6-diphenylpyridazine-3(2)selenone | 1073463-86-1

• 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: 4-cyano-5,6-diphenylpyridazine-3(2)selenone
• 英文别名: 3-hydroseleno-5,6-diphenylpyridazine-4-carbonitrile；3-seleno-5,6-diphenylpyridazine-4-carbonitrile
• CAS: 1073463-86-1
• 化学式: C₁₇H₁₁N₃Se
• 分子量: 336.254
• InChiKey: DBAUYBFTRIYWLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.21
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.57
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-cyano-5,6-diphenylpyridazine-3(2)selenone 、 氯乙酸 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以55%的产率得到(4-cyano-5,6-diphenylpyridazin-3-yl)selenoglycolic acid
  参考文献：
  名称：

  One Pot Synthesis of Some New Heteroylselenoglycolic Acids and Their Biological Activity

  摘要：

  A convenient one pot three-stage synthesis was used for obtaining new heteroylselenoglycolic and di-heteroylselenoglycolic acids by nucleophilic substitution reaction of the starting compounds pyridineselenol, pyridazineselenol, and quinolineselenol with -chloro- or ,-dichloroacetic acids for 1-h stirring. The newly synthesized compounds were screened biologically for anti-microbial and anti-oxidant activities. The structure of all new compounds was confirmed by H-1 NMR, C-13 NMR, Mass, and IR spectroscopy and elemental analyses.

  DOI：

  10.1080/10426507.2012.717138
• 作为产物：
  描述：

  3-chloro-5,6-diphenylpyridazine-4-carbonitrile 在 selenium 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 4-cyano-5,6-diphenylpyridazine-3(2)selenone
  参考文献：
  名称：

  One Pot Synthesis of Some New Heteroylselenoglycolic Acids and Their Biological Activity

  摘要：

  A convenient one pot three-stage synthesis was used for obtaining new heteroylselenoglycolic and di-heteroylselenoglycolic acids by nucleophilic substitution reaction of the starting compounds pyridineselenol, pyridazineselenol, and quinolineselenol with -chloro- or ,-dichloroacetic acids for 1-h stirring. The newly synthesized compounds were screened biologically for anti-microbial and anti-oxidant activities. The structure of all new compounds was confirmed by H-1 NMR, C-13 NMR, Mass, and IR spectroscopy and elemental analyses.

  DOI：

  10.1080/10426507.2012.717138

文献信息

• Synthesis and Biological Activity of Novel Arylazothiazole Disperse Dyes Containing Selenium for Dyeing Polyester Fibers
  作者：Mohamed E. Khalifa、Shams H. Abdel-Hafez、Adel A. Gobouri、Mohamed I. Kobeasy

  DOI：10.1080/10426507.2014.948622

  日期：2015.4.3

  novel synthesized thiazole-selenium disperse dyes were applied for dyeing polyester fabrics. Color characteristics and fastness properties were investigated. The novel synthesized compounds exhibited high efficiency based on in vitro screening of their antioxidant activity, antitumor activity against Ehrlich ascites carcinoma cell EACC cell line and antimicrobial activity against various pathogenic bacteria

  图形摘要 摘要 新型杂环芳基单偶氮有机化合物的合成，包括 3-氨基-4,6-二甲基-N-(5-芳基偶氮噻唑-2-基)硒酚[2,3-b]吡啶-2-甲酰胺，3 -氨基-4,6-二苯基-N-(5-芳基偶氮噻唑-2-基)硒酚[2,3-b]哒嗪-2-甲酰胺和3-氨基-5,6,7,8-四氢-4- (4-甲氧基苯基)-N-(5-芳基偶氮噻唑-2-基)硒酚[2,3-b]喹啉-2-甲酰胺使用涉及不同2-(N-氯乙酰基)-5-芳基偶氮-噻唑衍生物的缩合反应分别使用吡啶、哒嗪和/或喹诺酮的硒衍生物进行了研究。分析和光谱数据证实了所提出的结构。将新型合成的噻唑硒分散染料应用于涤纶织物的染色。研究了颜色特性和牢度特性。基于体外筛选其抗氧化活性、对艾氏腹水癌细胞 EACC 细胞系的抗肿瘤活性和对各种病原菌和真菌的抗菌活性，新合成的化合物表现出很高的效率。有色聚酯纤维可用作无菌和/或生物活性织物，用于各种生活应用。
• Synthesis and reactions of some new selenolo[2,3-c]pyridazines
  作者：S. H. Abdel-Hafez、M. I. Abdel-Monem、M. G. Mohamed、F. M. Abdelrazek、S. A. M. Metwally

  DOI：10.1007/s10593-011-0765-5

  日期：2011.6

  New series of selenolo[2,3-c]pyridazine and pyrimido[4',5':4,5]selenolo[2,3-c]pyridazine derivatives were prepared from 4-cyano-5,6-diphenylpyridazine-3(2H)-selenone. Elemental analysis, IR, 1H NMR, and mass spectra confirmed the structures of the newly synthesized compounds.

  由4-氰基-5,6-二苯基哒嗪-3（）制备了一系列新的硒代硒代[2,3- c ]哒嗪和嘧啶基[4'，5'：4,5]硒代烯酮[2,3- c ]哒嗪衍生物2H）-硒酮。元素分析，IR，1 H NMR和质谱证实了新合成化合物的结构。
• Synthesis of New Organoselenium Compounds Containing Nucleosides as Antioxidant
  作者：Laila M Break、Mahmoud A Mohamed、Shams H Abdel-Hafez

  DOI：10.13005/ojc/300423

  日期：2014.12.31

  Selenium containing nucleosides derived from some heterocyclic moieties such as Pyridineselenol, and pyridazineselenol is described herein. Ribosylation of selenol compounds were prepared in good yield by silyation of selenol derivatives with 1-O-acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose followed by debenzoylation to afford the corresponding free N-nucleosides b and a-1-(2,3,5-trihydroxy-

  本文介绍了由吡啶硒醇和哒嗪硒醇等杂环分子衍生的含硒核苷。通过将硒醇衍生物与 1-O-乙酰基-2,3,5-三-O-苯甲酰基-β-D-呋喃核糖硅烷化，然后进行去苯甲酰化，制备出相应的游离 N-核苷 b 和 a-1-（2,3,5-三羟基-β-D-呋喃核糖）。
• Selenium containing heterocycles: Synthesis, anti-inflammatory, analgesic and anti-microbial activities of some new 4-cyanopyridazine-3(2H)selenone derivatives
  作者：Sh.H. Abdel-Hafez

  DOI：10.1016/j.ejmech.2007.12.006

  日期：2008.9

  New series of selenolo[2,3-c]pyridazine and pyrimido[4',5':4,5]selenolo[2,3-c] pyridazine derivatives were prepared from new 4-cyano-5,6-diphenylpyridazine-3(2H)selenone (2). Elemental analysis, IR, 1H NMR, 13C NMR and mass spectral data confirmed the structure of the newly synthesized compounds. Some selected compounds 2, 4a,b, 6a-c, and 11a were investigated for their anti-inflammatory activity.

  由新的4-氰基-5,6-二苯基哒嗪-3制备了一系列新的硒代硒代[2,3-c]哒嗪和嘧啶基[4'，5'：4,5]硒代烯[2,3-c]哒嗪衍生物（2H）硒酮（2）。元素分析，IR，1 H NMR，13 C NMR和质谱数据证实了新合成化合物的结构。研究了某些选定的化合物2、4a，b，6a-c和11a的抗炎活性。筛选显示出与标准药物消炎痛相当的活性的化合物4b和6a-c的镇痛活性。另外，测试了最具活性的化合物的急性毒性。此外，对某些测试化合物4b，6a，6b和6c的抗菌和抗真菌活性进行了筛选。
• Charge-transfer complex of 4-cyano-5,6-diphenylpyridazine-3(2)selenone with picric acid: Infrared, Raman, spectrophotometric, and photostability studies
  作者：Moamen S. Refat、Shams H. Abdel-Hafez

  DOI：10.1134/s1070363214020315

  日期：2014.2

  Change transfer complex of 4-cyano-5,6-diphenylpyridazine-3(2)selenone (CDS) was obtained by reacting of CDS with picric acid. The structure was confirmed by a number of spectral (IR, Raman, UV-Vis) methods. The activation parameters Delta E, Delta H, Delta S, and Delta G were obtained from the DTG diagrams using Coats-Redfern and Horowitz-Metzger methods. The photostability of 4-cyano-5,6-diphenylpyridazine-3(2)selenone (CDS) and its charge-transfer complex doped in polymethyl methacrylate(PMMA) matrix exposed to UV-Vis radiation was studied.