1,4-bis(3-(4-chlorophenyl)-(1-phenyl)-4-(4-chlorophenylsulfonyl)-4,5-dihydropyrazol-5-yl)benzene | 1563186-11-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,4-bis(3-(4-chlorophenyl)-(1-phenyl)-4-(4-chlorophenylsulfonyl)-4,5-dihydropyrazol-5-yl)benzene
• 英文别名: 5-(4-Chlorophenyl)-3-[4-[5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]-4-(4-chlorophenyl)sulfonyl-2-phenyl-3,4-dihydropyrazole；5-(4-chlorophenyl)-3-[4-[5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]-4-(4-chlorophenyl)sulfonyl-2-phenyl-3,4-dihydropyrazole
• CAS: 1563186-11-7
• 化学式: C₄₈H₃₄Cl₄N₄O₄S₂
• 分子量: 936.766
• InChiKey: AFNDJFQQKOVTMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.8
• 重原子数：
  62
• 可旋转键数：
  10
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,4-bis(3-(4-chlorophenyl)-(1-phenyl)-4-(4-chlorophenylsulfonyl)-4,5-dihydropyrazol-5-yl)benzene 在 四氯苯醌 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 以82%的产率得到1,4-bis(3-(4-chlorophenyl)-(1-phenyl)-4-(4-chlorophenylsulfonyl)-1H-pyrazol-5-yl)benzene
  参考文献：
  名称：

  Synthesis and antimicrobial activity of (1,4-phenylene)bis(arylsulfonylpyrazoles and isoxazoles)

  摘要：

  A new class of (1,4-phenylene)bis(arylsufonylpyrazoles and isoxazoles) were synthesized by 1,3-dipolar cycloaddition of nitrile imines and nitrile oxides to the 1,4-bis((E)-2-(arylsulfonyl)vinyl)benzenes in the presence of chloramine-T. Compound 7f exhibited pronounced antimicrobial activity. Crown Copyright (C) 2013 Published by Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.11.041
• 作为产物：
  描述：

  (4-氯苯磺酰基)乙酸 在 chloramine T trihydrate 、 苄胺 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 生成 1,4-bis(3-(4-chlorophenyl)-(1-phenyl)-4-(4-chlorophenylsulfonyl)-4,5-dihydropyrazol-5-yl)benzene
  参考文献：
  名称：

  Synthesis and antimicrobial activity of (1,4-phenylene)bis(arylsulfonylpyrazoles and isoxazoles)

  摘要：

  A new class of (1,4-phenylene)bis(arylsufonylpyrazoles and isoxazoles) were synthesized by 1,3-dipolar cycloaddition of nitrile imines and nitrile oxides to the 1,4-bis((E)-2-(arylsulfonyl)vinyl)benzenes in the presence of chloramine-T. Compound 7f exhibited pronounced antimicrobial activity. Crown Copyright (C) 2013 Published by Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.11.041