2-(4-Bromo-phenyl)-1-ethyl-1H-indole-3-carbodithioic acid methyl ester | 848784-72-5

• 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: 2-(4-Bromo-phenyl)-1-ethyl-1H-indole-3-carbodithioic acid methyl ester
• CAS: 848784-72-5
• 化学式: C₁₈H₁₆BrNS₂
• 分子量: 390.368
• InChiKey: QCRHDQNOTFNZHQ-UHFFFAOYSA-N

物化性质

• 熔点：
  83 °C(Solv: ethanol (64-17-5))
• 沸点：
  540.5±60.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.13
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  4.93
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  吗啉 、 2-(4-Bromo-phenyl)-1-ethyl-1H-indole-3-carbodithioic acid methyl ester 以 乙醇 为溶剂， 以47%的产率得到[2-(4-Bromophenyl)-1-ethylindol-3-yl]-morpholin-4-ylmethanethione
  参考文献：
  名称：

  SYNTHESIS, SPECTRAL STUDIES, AND ANTIMICROBIAL ACTIVITIES OF [N-(UN)ALKYLATED-2-ARYLINDOL-3-YL]THIOCARBOXAMIDES

  摘要：

  A series of [N-(un)alkylated-2-arylindol-3-yl]thiocarboxamides (6) have been synthesized by the condensation of alkyl [N-(un)alkylated-2-arylindol-3-yl]dithiocarboxylates (5) with appropriate secondary amines in absolute alcohol. Compound 5 was prepared by the reaction of N-(un)alkylated-2-arylindoles with carbon disulphide in the presence of potassium-t-butoxide followed by alkyl iodide under nitrogen atmosphere. All of the compounds have been characterized on the basis of their elemental and spectral data and have been screened for their antibacterial and antifungal activities. Some of the synthesized compounds have shown promising activity.

  DOI：

  10.1080/10426500490485110
• 作为产物：
  描述：

  2-(4-溴苯基)-1H-吲哚 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 3.5h， 生成 2-(4-Bromo-phenyl)-1-ethyl-1H-indole-3-carbodithioic acid methyl ester
  参考文献：
  名称：

  SYNTHESIS, SPECTRAL STUDIES, AND ANTIMICROBIAL ACTIVITIES OF [N-(UN)ALKYLATED-2-ARYLINDOL-3-YL]THIOCARBOXAMIDES

  摘要：

  A series of [N-(un)alkylated-2-arylindol-3-yl]thiocarboxamides (6) have been synthesized by the condensation of alkyl [N-(un)alkylated-2-arylindol-3-yl]dithiocarboxylates (5) with appropriate secondary amines in absolute alcohol. Compound 5 was prepared by the reaction of N-(un)alkylated-2-arylindoles with carbon disulphide in the presence of potassium-t-butoxide followed by alkyl iodide under nitrogen atmosphere. All of the compounds have been characterized on the basis of their elemental and spectral data and have been screened for their antibacterial and antifungal activities. Some of the synthesized compounds have shown promising activity.

  DOI：

  10.1080/10426500490485110