5-[1-[2-(2-Cyclohexyl-5-methyl-oxazol-4-ylmethyl)-benzofuran-5-yl]-meth-(Z)-ylidene]-2-thioxo-oxazolidin-4-one | 136058-62-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 5-[1-[2-(2-Cyclohexyl-5-methyl-oxazol-4-ylmethyl)-benzofuran-5-yl]-meth-(Z)-ylidene]-2-thioxo-oxazolidin-4-one
• CAS: 136058-62-3
• 化学式: C₂₃H₂₂N₂O₄S
• 分子量: 422.505
• InChiKey: LSNUBHPHXQDVSG-JMIUGGIZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.14
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  77.5
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  5-[1-[2-(2-Cyclohexyl-5-methyl-oxazol-4-ylmethyl)-benzofuran-5-yl]-meth-(Z)-ylidene]-2-thioxo-oxazolidin-4-one 在 间氯过氧苯甲酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成
  参考文献：
  名称：

  Benzyloxazolidine-2,4-diones as potent hypoglycemic agents

  摘要：

  A series of benzyloxazolidine-2,4-diones, containing oxazole-based side chains, were found to lower blood glucose levels in the genetically obese ob/ob mouse. Incorporation of a benzofuran structural element in these compounds provides greatly enhanced in vivo potency. The syntheses and structure-activity relationships for this series are detailed.

  DOI：

  10.1021/jm00109a003
• 作为产物：
  描述：

  4-(5-Bromo-benzofuran-2-ylmethyl)-2-cyclohexyl-5-methyl-oxazole 在 甲酸 、 aluminum nickel 、 sodium acetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 120.0~150.0 ℃ 、13.33 Pa 条件下， 反应 21.5h， 生成 5-[1-[2-(2-Cyclohexyl-5-methyl-oxazol-4-ylmethyl)-benzofuran-5-yl]-meth-(Z)-ylidene]-2-thioxo-oxazolidin-4-one
  参考文献：
  名称：

  Benzyloxazolidine-2,4-diones as potent hypoglycemic agents

  摘要：

  A series of benzyloxazolidine-2,4-diones, containing oxazole-based side chains, were found to lower blood glucose levels in the genetically obese ob/ob mouse. Incorporation of a benzofuran structural element in these compounds provides greatly enhanced in vivo potency. The syntheses and structure-activity relationships for this series are detailed.

  DOI：

  10.1021/jm00109a003