(5Z)-5-[(1,3-benzodioxol-5-yl)methylene]-3-methyl-2-[4-(N-morpholinyl)phenyl]amino-3,5-dihydro-4H-imidazol-4-one | 1168150-19-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: (5Z)-5-[(1,3-benzodioxol-5-yl)methylene]-3-methyl-2-[4-(N-morpholinyl)phenyl]amino-3,5-dihydro-4H-imidazol-4-one
• 英文别名: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(4-morpholin-4-ylanilino)imidazol-4-one
• CAS: 1168150-19-3
• 化学式: C₂₂H₂₂N₄O₄
• 分子量: 406.441
• InChiKey: SMNIZRMJKQRYQS-PDGQHHTCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  75.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-(4-吗啉基)苯胺 、 (5Z)-5-(benzo[1,3]dioxol-5-yl)methylene-2-ethylsulfanyl-3-methyl-3,5-dihydro-4H-imidazol-4-one 反应 0.58h， 以75%的产率得到(5Z)-5-[(1,3-benzodioxol-5-yl)methylene]-3-methyl-2-[4-(N-morpholinyl)phenyl]amino-3,5-dihydro-4H-imidazol-4-one
  参考文献：
  名称：

  An Efficient Method for the Preparation of New Analogs of Leucettamine B under Solvent-Free Microwave Irradiation

  摘要：

  A simple and efficient microwave-assisted protocol has been developed for the synthesis of new 2-amino-3,4-dihydro-4H-imidazol-4-one derivatives of leucettamine B. This solvent-free protocol involves sulphur/nitrogen displacement of 2-ethylthio-5-arylidene-imidazolone 5 with a variety of functionalized polar primary amines 6 and this general method afforded a small library of the desired pure products 7a-n in yields ranging from 33 to 92% in moderate reaction times (30-100 minutes).

  DOI：

  10.3987/com-08-11594

文献信息

• An Efficient Method for the Preparation of New Analogs of Leucettamine B under Solvent-Free Microwave Irradiation
  作者：François Carreaux、Jean Pierre Bazureau、Mansour Debdab、Steven Renault、Samar Eid、Olivier Lozach、Laurent Meijer

  DOI：10.3987/com-08-11594

  日期：——

  A simple and efficient microwave-assisted protocol has been developed for the synthesis of new 2-amino-3,4-dihydro-4H-imidazol-4-one derivatives of leucettamine B. This solvent-free protocol involves sulphur/nitrogen displacement of 2-ethylthio-5-arylidene-imidazolone 5 with a variety of functionalized polar primary amines 6 and this general method afforded a small library of the desired pure products 7a-n in yields ranging from 33 to 92% in moderate reaction times (30-100 minutes).