1,4-phenylenebis[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methanone] | 112525-82-3

• 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: 1,4-phenylenebis[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methanone]
• 英文别名: terephthaloyl-4,4'-bis-(1-phenyl-3-methyl-5-pyrazolone)
• CAS: 112525-82-3
• 化学式: C₂₈H₂₂N₄O₄
• 分子量: 478.507
• InChiKey: GDYMBHZVCXNUSC-UHFFFAOYSA-N

物化性质

• 沸点：
  631.3±55.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.55
• 重原子数：
  36.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  110.24
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  1,4-phenylenebis[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methanone] 、 五氯化钼 以 苯 为溶剂， 生成 (terephthaloyl-4,4'-bis(1-phenyl-3-methylpyrazolonate-5))-bis(oxo-chloro-molybdenum)
  参考文献：
  名称：

  Terebenina, A. V.; Iordanov, N.; Pupkova, M. K., Russian Journal of Inorganic Chemistry, 1986, vol. 31, p. 1148 - 1150

  摘要：

  DOI：
• 作为产物：
  描述：

  对苯二甲酰氯 、 依达拉奉 以88%的产率得到
  参考文献：
  名称：

  TEREBENINA, A.;DIMITROVA, K.;JORDANOV, B.;CHERVENAKOV, P.;BORISOV, G., IZV. XIM. BLG. AN, 1985, 18, N 1, 31-38

  摘要：

  DOI：

文献信息

• Dinuclear (η6-arene) ruthenium(II) acylpyrazolone complexes: Synthesis, characterization and cytotoxicity
  作者：Riccardo Pettinari、Fabio Marchetti、Claudio Pettinari、Agnese Petrini、Brian W. Skelton、Allan H. White、Laura Bonfili、Massimiliano Cuccioloni、Anna Maria Eleuteri

  DOI：10.1016/j.jorganchem.2015.04.049

  日期：2015.8

  Dinuclear metal complexes have emerged as a promising class of unusually biologically active compounds. Acylpyrazolonato-bridged arene ruthenium complexes of the general formula [(arene)(2)Ru-2(L') Cl-2] were synthesized in methanol by reacting the arene ruthenium dimer [(arene) RuCl2](2) with the corresponding acylpyrazolone ligands. The complexes were isolated and fully characterized by spectroscopic methods; the single-crystal X-ray structure analysis of [(cymene)(2)Ru-2(L-1) Cl-2] is also presented. These ruthenium complexes were found to be cytotoxic towards epithelial cancerous cell lines to a comparable extent to cisplatin but with higher capacity to discriminate between normal and cancer cells. (C) 2015 Elsevier B.V. All rights reserved.