2-(2-(4-(sec-butoxy)phenyl)acetyl)-1-(2-chlorophenyl)-N-methylhydrazine-1-carboxamide | 154785-02-1

• 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: 2-(2-(4-(sec-butoxy)phenyl)acetyl)-1-(2-chlorophenyl)-N-methylhydrazine-1-carboxamide
• CAS: 154785-02-1
• 化学式: C₂₀H₂₄ClN₃O₃
• 分子量: 389.882
• InChiKey: FJHLMERLLYGHAT-UHFFFAOYSA-N

物化性质

• 密度：
  1.222±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.94
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  70.67
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(2-(4-(sec-butoxy)phenyl)acetyl)-1-(2-chlorophenyl)-N-methylhydrazine-1-carboxamide 在 氢氧化钾 作用下， 反应 8.0h， 生成 5-(4-sec-Butoxy-benzyl)-2-(2-chloro-phenyl)-4-methyl-2,4-dihydro-[1,2,4]triazol-3-one
  参考文献：
  名称：

  Synthesis and acaricidal activity of 3-aryl-5-arylmethyl-1, 3,4-oxa(thia)diazol-2(3h)-ones

  摘要：

  AbstractA series of new 1,3, 4‐oxa(thia)diazol‐2(3H)‐ones were synthesized and tested as acaricides. High activities against eggs of Tetranychus urticae (Koch) were found for derivatives bearing an ortho‐halo‐substituted phenyl group in position 3, and a benzyl group para‐substituted by a branched C3‐C6 alkoxy group in position 5 of the hetero‐ring. The best compounds attained the miticidal potency of clofentezine.

  DOI：

  10.1002/ps.2780400209
• 作为产物：
  描述：

  (4-sec-Butoxy-phenyl)-acetic acid N'-(2-chloro-phenyl)-hydrazide 以 1,4-二氧六环 、 水 、 甲苯 为溶剂， 反应 6.0h， 生成 2-(2-(4-(sec-butoxy)phenyl)acetyl)-1-(2-chlorophenyl)-N-methylhydrazine-1-carboxamide
  参考文献：
  名称：

  Synthesis and acaricidal activity of 3-aryl-5-arylmethyl-1, 3,4-oxa(thia)diazol-2(3h)-ones

  摘要：

  AbstractA series of new 1,3, 4‐oxa(thia)diazol‐2(3H)‐ones were synthesized and tested as acaricides. High activities against eggs of Tetranychus urticae (Koch) were found for derivatives bearing an ortho‐halo‐substituted phenyl group in position 3, and a benzyl group para‐substituted by a branched C3‐C6 alkoxy group in position 5 of the hetero‐ring. The best compounds attained the miticidal potency of clofentezine.

  DOI：

  10.1002/ps.2780400209