5-bromo-5-[(bromo)benzyl]-2-methylthio-3-phenyl-3,5-dihydro-4H-imidazol-4-one | 1169764-27-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-bromo-5-[(bromo)benzyl]-2-methylthio-3-phenyl-3,5-dihydro-4H-imidazol-4-one
• 英文别名: 5-bromo-5-[bromo(phenyl)methyl]-2-methylsulfanyl-3-phenylimidazol-4-one
• CAS: 1169764-27-5
• 化学式: C₁₇H₁₄Br₂N₂OS
• 分子量: 454.185
• InChiKey: PKFNXKMJMICPGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  58
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-bromo-5-[(bromo)benzyl]-2-methylthio-3-phenyl-3,5-dihydro-4H-imidazol-4-one 以 乙醇 为溶剂， 以80%的产率得到5-[bromo(phenyl)methylene]-3-phenylimidazolidine-2,4-dione
  参考文献：
  名称：

  合成5-溴（芳基）亚甲基取代的乙内酰脲的新方法

  摘要：

  It has been shown that bromination of 5-aryl-5-benzylidene-3,5-dihydro-4H-2-methylthioimidazol-4-one in methylene chloride at room temperature leads to the addition of bromine at the double bond, but the the reaction of 5-aryl-3,5-dihydro-4H-2-methylthio-5-(2-pyridylmethylene)imidazol-4-one gave complex compound of the starting materials. After boiling both of the compounds obtained in ethanol the corresponding 5-[bromo(aryl)methylene]imidazolidine-2,4-diones were obtained.

  DOI：

  10.1007/s10593-008-0167-5
• 作为产物：
  描述：

  3-phenyl-5-phenylmethylidene-2-(methylthio)imidazol-4-one 在 溴 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以83%的产率得到5-bromo-5-[(bromo)benzyl]-2-methylthio-3-phenyl-3,5-dihydro-4H-imidazol-4-one
  参考文献：
  名称：

  合成5-溴（芳基）亚甲基取代的乙内酰脲的新方法

  摘要：

  It has been shown that bromination of 5-aryl-5-benzylidene-3,5-dihydro-4H-2-methylthioimidazol-4-one in methylene chloride at room temperature leads to the addition of bromine at the double bond, but the the reaction of 5-aryl-3,5-dihydro-4H-2-methylthio-5-(2-pyridylmethylene)imidazol-4-one gave complex compound of the starting materials. After boiling both of the compounds obtained in ethanol the corresponding 5-[bromo(aryl)methylene]imidazolidine-2,4-diones were obtained.

  DOI：

  10.1007/s10593-008-0167-5