1-(4,5-dimethoxy-2-(phenylamino)phenyl)ethanone | 1246849-63-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4,5-dimethoxy-2-(phenylamino)phenyl)ethanone
• CAS: 1246849-63-7
• 化学式: C₁₆H₁₇NO₃
• 分子量: 271.316
• InChiKey: IOSDIXWXZYBJME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.65
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  47.56
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-(4,5-dimethoxy-2-(phenylamino)phenyl)ethanone 在 盐酸羟胺 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以64%的产率得到(E)-1-(4,5-dimethoxy-2-(phenylamino)phenyl)ethanone oxime
  参考文献：
  名称：

  Synthesis of N-Arylindazoles and Benzimidazoles from a Common Intermediate

  摘要：

  A variety of N-aryl-1H-indazoles and benzimidazoles were synthesized from common arylamino oximes in good to excellent yields The product selectivity depends upon the base used in the reaction, as triethylamine promoted the formation of benzimidazoles, whereas 2-aminopyridine promoted the formation of N-arylindazoles This method is valuable to the synthetic community because both indazoles and benzimidazoles are prevalent in pharmaceuticals

  DOI：

  10.1021/ol101899q
• 作为产物：
  描述：

  碘苯 、 2'-氨基-4',5'-二甲氧基苯乙酮 在 铜 、 potassium carbonate 作用下， 以 二丁醚 为溶剂， 反应 24.0h， 以87%的产率得到1-(4,5-dimethoxy-2-(phenylamino)phenyl)ethanone
  参考文献：
  名称：

  Synthesis of N-Arylindazoles and Benzimidazoles from a Common Intermediate

  摘要：

  A variety of N-aryl-1H-indazoles and benzimidazoles were synthesized from common arylamino oximes in good to excellent yields The product selectivity depends upon the base used in the reaction, as triethylamine promoted the formation of benzimidazoles, whereas 2-aminopyridine promoted the formation of N-arylindazoles This method is valuable to the synthetic community because both indazoles and benzimidazoles are prevalent in pharmaceuticals

  DOI：

  10.1021/ol101899q