N-(4-chlorophenyl)-N'-(4-methoxyphenyl)selenourea | 1226911-97-2

• 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: N-(4-chlorophenyl)-N'-(4-methoxyphenyl)selenourea
• CAS: 1226911-97-2
• 化学式: C₁₄H₁₃ClN₂OSe
• 分子量: 339.683
• InChiKey: OLCRYDSGOKXENX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  19.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  33.29
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-(4-chlorophenyl)-N'-(4-methoxyphenyl)selenourea 、 2-溴苯乙酮 在 氨 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以77.92%的产率得到N-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-phenyl-1,3-selenazol-2(3H)-imine
  参考文献：
  名称：

  Synthesis of 1,3-Selenazol-2(3H)-imines

  摘要：

  AbstractThe reaction of N,N′‐diarylselenoureas 16 with phenacyl bromide in EtOH under reflux, followed by treatment with NH3, gave N,3‐diaryl‐4‐phenyl‐1,3‐selenazol‐2(3H)‐imines 13 in high yields (Scheme 2). A reaction mechanism via formation of the corresponding Se‐(benzoylmethyl)isoselenoureas 18 and subsequent cyclocondensation is proposed (Scheme 3). The N,N′‐diarylselenoureas 16 were conveniently prepared by the reaction of aryl isoselenocyanates 15 with 4‐substituted anilines. The structures of 13a and 13c were established by X‐ray crystallography.

  DOI：

  10.1002/hlca.200900452
• 作为产物：
  描述：

  p-chlorophenyl isoselenocyanate 、 甲氧苯胺 在 三乙胺 作用下， 以 甲苯 为溶剂， 以90.9%的产率得到N-(4-chlorophenyl)-N'-(4-methoxyphenyl)selenourea
  参考文献：
  名称：

  Synthesis of 1,3-Selenazol-2(3H)-imines

  摘要：

  AbstractThe reaction of N,N′‐diarylselenoureas 16 with phenacyl bromide in EtOH under reflux, followed by treatment with NH3, gave N,3‐diaryl‐4‐phenyl‐1,3‐selenazol‐2(3H)‐imines 13 in high yields (Scheme 2). A reaction mechanism via formation of the corresponding Se‐(benzoylmethyl)isoselenoureas 18 and subsequent cyclocondensation is proposed (Scheme 3). The N,N′‐diarylselenoureas 16 were conveniently prepared by the reaction of aryl isoselenocyanates 15 with 4‐substituted anilines. The structures of 13a and 13c were established by X‐ray crystallography.

  DOI：

  10.1002/hlca.200900452