7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one | 1225046-46-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one
• CAS: 1225046-46-7
• 化学式: C₁₈H₁₆N₄O
• 分子量: 304.351
• InChiKey: AVJYAWCMKNHRFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  51
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以90%的产率得到7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one
  参考文献：
  名称：

  Catalyst-Free 1,3-Dipolar Cycloaddition: An Efficient Route for the Formation of the 1,2,3-Triazole-Fused Diazepinone Framework

  摘要：

  A catalyst-free, effective method for the synthesis of the hitherto unreported 1,2,3-triazole-fused diazepinone framework in good to excellent yield through 1,3-dipolar cycloaddition is reported. The generality of the reaction is demonstrated by the synthesis of an array of [1,2,3]triazolodiazepinones. The methodology offers a clean reaction and easy isolation of the products in good to excellent yield.

  DOI：

  10.1055/s-0029-1218610

文献信息

• Catalyst-Free 1,3-Dipolar Cycloaddition: An Efficient Route for the Formation of the 1,2,3-Triazole-Fused Diazepinone Framework
  作者：K. Majumdar、Krishanu Ray、Sintu Ganai、Tapas Ghosh

  DOI：10.1055/s-0029-1218610

  日期：2010.3

  A catalyst-free, effective method for the synthesis of the hitherto unreported 1,2,3-triazole-fused diazepinone framework in good to excellent yield through 1,3-dipolar cycloaddition is reported. The generality of the reaction is demonstrated by the synthesis of an array of [1,2,3]triazolodiazepinones. The methodology offers a clean reaction and easy isolation of the products in good to excellent yield.