1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(2-hydroxyphenyl)-4-(piperidinocarbonyl)-4,5-dihydropyrazole | 1226910-31-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(2-hydroxyphenyl)-4-(piperidinocarbonyl)-4,5-dihydropyrazole
• 英文别名: [2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-4-yl]-piperidin-1-ylmethanone
• CAS: 1226910-31-1
• 化学式: C₂₇H₂₅Cl₂N₃O₂
• 分子量: 494.42
• InChiKey: SZFZQSZAZYLSRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  56.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-[2-(2-chlorophenyl)hydrazino]coumarin 、 4-氯苯甲醛 、 哌啶乙酸盐 在 哌啶 作用下， 以 二甲基亚砜 为溶剂， 以32%的产率得到1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(2-hydroxyphenyl)-4-(piperidinocarbonyl)-4,5-dihydropyrazole
  参考文献：
  名称：

  Synthesis and reactions of 4-(arylhydrazino)coumarins

  摘要：

  The interaction of 4-hydroxycoumarin with phenyl-, 2-chlorophenyl- and 4-bromophenyhydrazine hydrochlorides in the presence of triethylamine led in all cases to the corresponding 4-(arylhydrazino)coumarins and 1-aryl-3-(2-hydroxyphenyl)-2H-pyrazolin-5-ones. 4-(Arylhydrazino)coumarins reacted with 4-chlorobenzaldehyde in the presence of piperidine acetate to give the corresponding 2-aryl-3-(4-chlorophenyl)[1]benzopyrano[4,3-b]pyrazol-4-ones. The reaction of 4-(4-bromophenylhydrazino)coumarin with 4-chlorobenzaldehyde in the presence of piperidine acetate and an excess of piperidine gave 2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(2-hydroxyphenyl)-4-(piperidinocarbonyl)pyrazole, but the reaction of phenyl- and 4-(2-chlorophenylhydrazino)coumarins with 4-chlorobenzaldehyde gave 1-aryl-5-(4-chlorophenyl)-3-(2-hydroxyphenyl)-4-(1-piperidino)carbonyl-4,5-dihydropyrazoles.

  DOI：

  10.1007/s10593-010-0428-y