2-chloro-N-ethyl-N-[2-oxo-5-(2-phenylethynyl)chromen-6-yl]acetamide | 1225046-44-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 2-chloro-N-ethyl-N-[2-oxo-5-(2-phenylethynyl)chromen-6-yl]acetamide
• CAS: 1225046-44-5
• 化学式: C₂₁H₁₆ClNO₃
• 分子量: 365.816
• InChiKey: WXHCQZALQBVSSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloro-N-ethyl-N-[2-oxo-5-(2-phenylethynyl)chromen-6-yl]acetamide 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  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
• 作为产物：
  描述：

  6-(Ethylamino)-5-(2-phenylethynyl)chromen-2-one 、 氯乙酰氯 在 四丁基硫酸氢铵 、 potassium carbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 以70%的产率得到2-chloro-N-ethyl-N-[2-oxo-5-(2-phenylethynyl)chromen-6-yl]acetamide
  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.