5-{1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-phenyl-1H-indol-3-ylmethylene}pyrimidine-2,4,6-trione | 1345510-08-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-{1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-phenyl-1H-indol-3-ylmethylene}pyrimidine-2,4,6-trione
• 英文别名: 5-[[1-[2-(4-Methoxyphenyl)-2-oxoethyl]-2-phenylindol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione；5-[[1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-phenylindol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
• CAS: 1345510-08-8
• 化学式: C₂₈H₂₁N₃O₅
• 分子量: 479.492
• InChiKey: PNYGQKBLNSHDRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-苯基吲哚-3-甲醛 在 四丁基溴化铵 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 5-{1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-phenyl-1H-indol-3-ylmethylene}pyrimidine-2,4,6-trione
  参考文献：
  名称：

  Synthesis, single crystal X-ray studies and antimicrobial activities of novel Indole barbiturates

  摘要：

  A novel series of N-substituted 2-phenyl indole derivatives incorporating barbituric acid have been synthesised and the chemical structures of the resulting molecules were characterised by means of IR, NMR and mass spectra. The antimicrobial activities of these compounds were investigated. Significant improvement in the antimicrobial activity can be achieved, in the presence of Cl and Br substituents on phenacyl moiety at para position. Single crystal X-ray analysis was also performed for the compound 6b in order to determine the crystal structure.

  DOI：

  10.1007/s00044-011-9827-6

文献信息

• Synthesis, single crystal X-ray studies and antimicrobial activities of novel Indole barbiturates
  作者：S. Vijaya Laxmi、B. Janardhan、B. Rajitha、P. Raghavaiah、Prathima Srinivas

  DOI：10.1007/s00044-011-9827-6

  日期：2012.10

  A novel series of N-substituted 2-phenyl indole derivatives incorporating barbituric acid have been synthesised and the chemical structures of the resulting molecules were characterised by means of IR, NMR and mass spectra. The antimicrobial activities of these compounds were investigated. Significant improvement in the antimicrobial activity can be achieved, in the presence of Cl and Br substituents on phenacyl moiety at para position. Single crystal X-ray analysis was also performed for the compound 6b in order to determine the crystal structure.