1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-phenyl-1H-indole-3-carbaldehyde | 1262764-48-6

• 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: 1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-phenyl-1H-indole-3-carbaldehyde
• CAS: 1262764-48-6
• 化学式: C₂₄H₁₉NO₃
• 分子量: 369.42
• InChiKey: QJDVBXSINYSWJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.01
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  48.3
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  巴比妥酸 、 1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-phenyl-1H-indole-3-carbaldehyde 以 甲醇 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
• 作为产物：
  描述：

  2-苯基吲哚 在 四丁基溴化铵 、 potassium carbonate 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-phenyl-1H-indole-3-carbaldehyde
  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 and antimicrobial activity of newer indole semicarbazones
  作者：S. Vijaya Laxmi、B. Rajitha

  DOI：10.1007/s00044-010-9502-3

  日期：2012.1

  structures of the synthesized compounds were confirmed by spectral data. The antimicrobial activities of the synthesized compounds were screened using broth dilution method. Among all the screened compounds some of the compounds exerted good antifungal activity against C. albicans and C. rugosa. All the compounds exhibited moderate activity against bacteria such as B. subtilis, S. aureus, S. epidermidis, E. coli

  通过缩合1的衍生物，合成了一系列1-（2-氧-2-苯基-乙基）-2-苯基-1 H-吲哚-3基）亚甲基）氨基脲衍生物（4a – g和6a – c）。 -（2-氧代-2-苯基-乙基）-2-苯基-1 H-吲哚-3-甲醛和氨基脲在乙醇中的微波辐射程序。已经进行了常规和微波辐射的合成，以比较它们的产率和反应时间。通过光谱数据证实了合成化合物的结构。使用肉汤稀释法筛选合成化合物的抗菌活性。在所有筛选出的化合物中，某些化合物对真菌具有良好的抗真菌活性C. 白色念珠菌和C. 藿香。所有的化合物显示出对细菌中等活性如B. 枯草，S. 金黄色葡萄球菌，链球菌 ，表皮，E. 大肠杆菌，P.  aeoginosa，和K. 肺炎。