(E)-1-(2-(3-chlorophenylamino)phenyl)ethanone oxime | 1246849-48-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-1-(2-(3-chlorophenylamino)phenyl)ethanone oxime
• 英文别名: (NE)-N-[1-[2-(3-chloroanilino)phenyl]ethylidene]hydroxylamine
• CAS: 1246849-48-8
• 化学式: C₁₄H₁₃ClN₂O
• 分子量: 260.723
• InChiKey: GTKHLZDARULFPY-LICLKQGHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  44.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-1-(2-(3-chlorophenylamino)phenyl)ethanone oxime 在 三乙胺 、 甲基磺酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 5.25h， 以87%的产率得到1-(3-chlorophenyl)-2-methyl-1H-benzo[d]imidazole
  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：

  1-(2-(3-chlorophenylamino)phenyl)ethanone 在 吡啶 、 盐酸羟胺 作用下， 以 甲醇 为溶剂， 以70%的产率得到(E)-1-(2-(3-chlorophenylamino)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

文献信息

• Synthesis of <i>N</i>-Arylindazoles and Benzimidazoles from a Common Intermediate
  作者：Brenda C. Wray、James P. Stambuli

  DOI：10.1021/ol101899q

  日期：2010.10.15

  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