3-(4-Methoxyphenyl)-4-(7-phenyl-1,4-diazabicyclo[4.1.0]hept-4-en-5-yl)oxadiazol-3-ium-5-olate | 1408371-63-0

• 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: 3-(4-Methoxyphenyl)-4-(7-phenyl-1,4-diazabicyclo[4.1.0]hept-4-en-5-yl)oxadiazol-3-ium-5-olate
• 英文别名: 3-(4-methoxyphenyl)-4-(7-phenyl-1,4-diazabicyclo[4.1.0]hept-4-en-5-yl)oxadiazol-3-ium-5-olate
• CAS: 1408371-63-0
• 化学式: C₂₀H₁₈N₄O₃
• 分子量: 362.388
• InChiKey: CVHWLITWHXCSIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  77.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-[1-oxo-3-phenyl-2-propenyl]-3-(4-methoxyphenyl)sydnone 在 溴 、 溶剂黄146 、 三乙胺 作用下， 以 乙醇 为溶剂， 生成 3-(4-Methoxyphenyl)-4-(7-phenyl-1,4-diazabicyclo[4.1.0]hept-4-en-5-yl)oxadiazol-3-ium-5-olate
  参考文献：
  名称：

  Novel One-Pot Synthesis of Aziridines Carrying Sydnone Moiety and Their Biological Studies

  摘要：

  A novel series of 5-(3-arylsydnon-4-yl)-7-aryl-1,4-diazabicyclo[4,1,0]hept-4-enes 3a-l were prepared in a one-pot synthesis by the reaction of 2,3-dibromo-1-(3-arylsydnon-4-yl)-3-arylpropan-1-one 1a-l and 1,2-diaminoethane. The newly synthesized compounds were screened for their antibacterial and antifungal activity.

  DOI：

  10.1080/00397911.2011.599102

文献信息

• Novel One-Pot Synthesis of Aziridines Carrying Sydnone Moiety and Their Biological Studies
  作者：Jyothi C. Hegde、K. S. Girish、Adithya Adhikari、Balakrishna Kalluraya

  DOI：10.1080/00397911.2011.599102

  日期：2013.1

  A novel series of 5-(3-arylsydnon-4-yl)-7-aryl-1,4-diazabicyclo[4,1,0]hept-4-enes 3a-l were prepared in a one-pot synthesis by the reaction of 2,3-dibromo-1-(3-arylsydnon-4-yl)-3-arylpropan-1-one 1a-l and 1,2-diaminoethane. The newly synthesized compounds were screened for their antibacterial and antifungal activity.