methylenebis-2-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl)-4,1-phenylene diacetate | 1309660-18-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: methylenebis-2-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl)-4,1-phenylene diacetate
• 英文别名: [4-[[4-acetyloxy-3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl] acetate
• CAS: 1309660-18-1
• 化学式: C₃₅H₃₀Cl₂N₄O₄
• 分子量: 641.554
• InChiKey: BCCSXCJDEICKQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  45
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  对氯苯乙酮 在 一水合肼 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.02h， 生成 methylenebis-2-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl)-4,1-phenylene diacetate
  参考文献：
  名称：

  Efficient microwave-assisted synthesis and antitumor activity of novel 4,4′-methylenebis[2-(3-aryl-4,5-dihydro-1H-pyrazol-5-yl)phenols]

  摘要：

  Two new series of 4,4'-methylenebis[2-(3-aryl-4,5-dihydro-1H-Pyrazol-5-yl)Phenols] 4 and methylenebis-2-(3-aryl-4,5-dihydro-1H-pyrazol-5-yl)-4,1-phenylene diacetates 5 have been efficiently prepared starting from the commercially available salicylaldehyde and where the key step corresponded to the microwave-assisted reaction of intermediates 3,3'-[methylenebis(6-hydroxy-3,1-phenylene)]bis(1-arylprop-2-en-1-ones) 3 with hydrazine hydrate or acetic acid/hydrazine hydrate respectively. Three unacetylated compounds type 4 presented interesting antitumor activities against a wide range of tumor cell lines. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.03.028

文献信息

• Efficient microwave-assisted synthesis and antitumor activity of novel 4,4′-methylenebis[2-(3-aryl-4,5-dihydro-1H-pyrazol-5-yl)phenols]
  作者：Braulio Insuasty、Angélica García、Jairo Quiroga、Rodrigo Abonia、Alejandro Ortiz、Manuel Nogueras、Justo Cobo

  DOI：10.1016/j.ejmech.2011.03.028

  日期：2011.6

  Two new series of 4,4'-methylenebis[2-(3-aryl-4,5-dihydro-1H-Pyrazol-5-yl)Phenols] 4 and methylenebis-2-(3-aryl-4,5-dihydro-1H-pyrazol-5-yl)-4,1-phenylene diacetates 5 have been efficiently prepared starting from the commercially available salicylaldehyde and where the key step corresponded to the microwave-assisted reaction of intermediates 3,3'-[methylenebis(6-hydroxy-3,1-phenylene)]bis(1-arylprop-2-en-1-ones) 3 with hydrazine hydrate or acetic acid/hydrazine hydrate respectively. Three unacetylated compounds type 4 presented interesting antitumor activities against a wide range of tumor cell lines. (C) 2011 Elsevier Masson SAS. All rights reserved.