5-methyl-2-phenyl-4-[(2-phenylamino)-phenylmethylene]pyrazol-3(2H)-one | 57784-86-8

• 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: 5-methyl-2-phenyl-4-[(2-phenylamino)-phenylmethylene]pyrazol-3(2H)-one
• CAS: 57784-86-8
• 化学式: C₂₃H₁₉N₃O
• 分子量: 353.423
• InChiKey: OFRORPCBQQSJPG-DQRAZIAOSA-N

物化性质

• 沸点：
  498.5±55.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.93
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  44.7
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-methyl-2-phenyl-4-[(2-phenylamino)-phenylmethylene]pyrazol-3(2H)-one 、 copper dichloride 在 (C₂H₅)3N 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 以70%的产率得到Cu(5-methyl-2-phenyl-4-[(2-phenylamino)-phenylmethylene]pyrazol-3(2H)-one(-1H))2
  参考文献：
  名称：

  带有N，O-螯合物的铜（II）配合物的合成，结构和催化活性

  摘要：

  铜配合物[铜（L Ñ）2 ] 1 - 4轴承Ñ，ö -chelatingβ-酮胺配体大号Ñ基于1-苯基-3-甲基-4-苯甲酰基-5-吡唑啉酮的缩合产物与苯胺（大号1），α萘胺（大号2），Ô甲基苯胺（大号3），和p硝基苯胺（大号4），分别合成并用IR，1 H NMR和X-射线晶体学（除2）。它们被甲基铝氧烷（MAO）活化后，可催化降冰片烯的乙烯基聚合。空间效应和电子效应都是重要的影响因素，它们以2  >  4  >  3  >  1的顺序促进了配合物的催化活性。

  DOI：

  10.1016/j.jorganchem.2005.05.054

文献信息

• Cytotoxicity of Ruthenium–Arene Complexes Containing β-Ketoamine Ligands
  作者：Riccardo Pettinari、Claudio Pettinari、Fabio Marchetti、Catherine M. Clavel、Rosario Scopelliti、Paul J. Dyson

  DOI：10.1021/om301115e

  日期：2013.1.14

  New ruthenium(II) arene derivatives (arene = p-cymene, benzene, hexamethylbenzene) containing beta-ketoamine ligands L' (HL' in general; in detail, HLph,ph = (4Z)-3-methyl-4-((phenylamino)(phenyl)methylene)-1-phenyl-1H-pyrazol-5(4H)-one, HLnaph,ph = (4Z)-3-methyl-4-((phenyamino)(naphthalen-2-yl)methylene)-1-phenyl-1H-pyrazol-5(4H)- one, HLet,ph = (4Z)-3-methyl-4-(1-(phenylamino)propylidene)-1-phenyl-1Hpyrazol-5(4H)-one) have been synthesized and characterized by spectroscopy (IR, ESI-MS, H-1 and C-13 NMR) and elemental analysis. The ligands in the anionic form coordinate ruthenium in a chelating kappa N-2,O-bidentate fashion, affording 1:1 derivatives of the formula [Ru(arene)(L')Cl]. Further reaction of [Ru(p-cymene)(L')Cl] with AgPF6 or PTA (PTA = 1,3,5-triaza-7-phosphaadamantane) in methanol affords [Ru(p-cymene)(L')(CH3OH)] [PF6] and [Ru(p-cymene) (L')(PTA)]Cl, respectively. The solid-state structures of the ligand HLet,ph and complexes [Ru(p-cymene)(L-ph,L-ph)Cl] (1), [Ru(p-cymene)(L-naph,L-ph)Cl] (4), and [Ru(p-cymene)(L-et,L-ph)Cl] (7) have been determined by single-crystal X-ray diffraction. The antitumor activity of both the ligands and complexes has been evaluated against the human ovarian carcinoma cell line A2780 and its cisplatin-resistant equivalent A2780R, some of the complexes showing significant cytotoxicity toward the cisplatin-resistant cell line.
• 697. isoOxaxolones. Part V. Arylaminoalkyl(or aryl)idene-isooxazolones and -isooxazolidones
  作者：E. Mansberg、G. Shaw

  DOI：10.1039/jr9530003467

  日期：——
• Hennig, Lothar; Mann, Gerhard, Zeitschrift fur Chemie, 1988, vol. 28, # 10, p. 364 - 365
  作者：Hennig, Lothar、Mann, Gerhard

  DOI：——

  日期：——
• Syntheses, structures and catalytic activity of copper(II) complexes bearing N,O-chelate ligands
  作者：Xing-Qiang Lü、Feng Bao、Bei-Sheng Kang、Qing Wu、Han-Qin Liu、Fang-Ming Zhu

  DOI：10.1016/j.jorganchem.2005.05.054

  日期：2006.2

  Copper complexes [Cu(Ln)2] 1–4 bearing N,O-chelating β-ketoamine ligands Ln based on condensation products of 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone with aniline (L1), α-naphthylamine (L2), o-methylaniline (L3), and p-nitroaniline (L4), respectively, were synthesized and characterized by IR, 1H NMR and X-ray crystallography (except 2). They were shown to catalyze the vinyl polymerization of norbornene

  铜配合物[铜（L Ñ）2 ] 1 - 4轴承Ñ，ö -chelatingβ-酮胺配体大号Ñ基于1-苯基-3-甲基-4-苯甲酰基-5-吡唑啉酮的缩合产物与苯胺（大号1），α萘胺（大号2），Ô甲基苯胺（大号3），和p硝基苯胺（大号4），分别合成并用IR，1 H NMR和X-射线晶体学（除2）。它们被甲基铝氧烷（MAO）活化后，可催化降冰片烯的乙烯基聚合。空间效应和电子效应都是重要的影响因素，它们以2  >  4  >  3  >  1的顺序促进了配合物的催化活性。