bis[(4-cyano-5,6-diphenylpyridazin-3-yl)selenyl]ethanoic acid | 1453189-98-4

• 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: bis[(4-cyano-5,6-diphenylpyridazin-3-yl)selenyl]ethanoic acid
• 英文别名: 2,2-Bis[(4-cyano-5,6-diphenylpyridazin-3-yl)selanyl]acetic acid；2,2-bis[(4-cyano-5,6-diphenylpyridazin-3-yl)selanyl]acetic acid
• CAS: 1453189-98-4
• 化学式: C₃₆H₂₂N₆O₂Se₂
• 分子量: 728.53
• InChiKey: RSQGGHUQVFGUSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.87
• 重原子数：
  46
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  136
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-chloro-5,6-diphenylpyridazine-4-carbonitrile 在 selenium 、 sodium tetrahydroborate 、 sodium acetate 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 3.0h， 生成 bis[(4-cyano-5,6-diphenylpyridazin-3-yl)selenyl]ethanoic 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

文献信息

• One Pot Synthesis of Some New Heteroylselenoglycolic Acids and Their Biological Activity
  作者：Shams H. Abdel-Hafez、Laila M. Break、Amani M. Alsaadi

  DOI：10.1080/10426507.2012.717138

  日期：2013.9.1

  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.