2,2-bis(3-phenylpropyl) malonic acid | 861330-41-8

• 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: 2,2-bis(3-phenylpropyl) malonic acid
• 英文别名: bis-(3-phenyl-propyl)-malonic acid；Bis-(3-phenyl-propyl)-malonsaeure；1.7-Diphenyl-heptan-dicarbonsaeure-(4.4)；Bis-(γ-phenyl-propyl)-malonsaeure；Bis-hydrocinnamyl-malonsaeure；2,2-Bis(3-phenylpropyl)propanedioic acid；2,2-bis(3-phenylpropyl)propanedioic acid
• CAS: 861330-41-8
• 化学式: C₂₁H₂₄O₄
• 分子量: 340.419
• InChiKey: HZEYBEVNFCIVPL-UHFFFAOYSA-N

物化性质

• 沸点：
  584.3±50.0 °C(Predicted)
• 密度：
  1.182±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2-bis(3-phenylpropyl) malonic acid 在 溶剂黄146 、 铂 作用下， 生成 5-cyclohexyl-2-(3-cyclohexyl-propyl)-valeric acid
  参考文献：
  名称：

  The Catalytic Hydrogenation of the Benzene Nucleus. I. The Hydrogenation of Phenyl-substituted Aliphatic Acids

  摘要：

  DOI：

  10.1021/ja01218a037
• 作为产物：
  描述：

  1-氯-3-苯基丙烷 在 盐酸 、 水 、 sodium ethanolate 、 sodium hydroxide 作用下， 生成 2,2-bis(3-phenylpropyl) malonic acid
  参考文献：
  名称：

  Synthesis, characterization and cytotoxicity of a carboxylic ligand 2,2-bis(3-phenylpropyl) malonic acid and a corresponding Mn(ii) complex

  摘要：

  有机配体Hbpmc和聚合物复合物[Mn(bpmc)2(4,4′-bipy)(H2O)2]n·3H2O（4,4′-bipy = 4,4′-联吡啶，Hbpmc = 2,2-双(3-苯基丙基)丙二酸）同时具有亲油基团（芳香环）和亲水基团（非配位羧基），通过红外光谱、元素分析和X射线单晶衍射对其进行了合成和表征。通过荧光光谱研究了复合物与HC-DNA的相互作用。凝胶电泳分析表明其能够裂解提取的HC-DNA。IC50值用于了解细胞毒性活性，其低于顺

  DOI：

  10.1039/c2dt31635h

文献信息

• Role of substituents in copper(<scp>II</scp>) extraction with N,N′-bis(8-quinolyl)malonamides
  作者：Takuji Hirose、Kazuhisa Hiratani、Kazuyuki Kasuga、Kiyoshi Saito、Tohru Koike、Eiichi Kimura、Yoshinobu Nagawa、Hiroshi Nakanishi

  DOI：10.1039/dt9920002679

  日期：——

  It has been found that substituents on N,N'-bis(8-quinolyl)malonamide play an important role in copper(II) extraction: among the substituents studied, benzyl groups dramatically increased extractability of the malonamide complex. The role of substituents is discussed on the basis of the results of titration and H-1 NMR measurements of copper(II) or nickel(II) complexes as well as copper(II)-extraction experiments. Intramolecular interactions between pi electrons of the benzyl group and the metal centre of the complex are proposed to occur.
• Ramart-Lucas; Hoch, Annales de Chimie (Cachan, France), 1932, vol. <10> 17, p. 207,244
  作者：Ramart-Lucas、Hoch

  DOI：——

  日期：——
• Leuchs; Sander, Chemische Berichte, 1925, vol. 58, p. 2201 Anm. 5
  作者：Leuchs、Sander

  DOI：——

  日期：——
• The Catalytic Hydrogenation of the Benzene Nucleus. I. The Hydrogenation of Phenyl-substituted Aliphatic Acids
  作者：Hilton A. Smith、D. M. Alderman、F. W. Nadig

  DOI：10.1021/ja01218a037

  日期：1945.2
• Synthesis, characterization and cytotoxicity of a carboxylic ligand 2,2-bis(3-phenylpropyl) malonic acid and a corresponding Mn(ii) complex
  作者：Ming-chang Zhu、Lei Dai、En-jun Gao、Lin Lin、Bo Wang、Lei Liu

  DOI：10.1039/c2dt31635h

  日期：——

  The organic ligand Hbpmc and the polymeric complex [Mn(bpmc)2(4,4′-bipy)(H2O)2]n·3H2O (4,4′-bipy = 4,4′-bipyridine, Hbpmc = 2,2-bis(3-phenylpropyl) malonic acid), which have both a lipophilic group (aromatic ring) and a hydrophilic group (non-coordination carboxyl), were synthesized and characterized by IR spectra, elemental analysis and X-ray single-crystal diffraction. The interaction of the complexes with HC-DNA was investigated by fluorescence spectroscopy. Gel electrophoresis assay demonstrates the ability to cleave the extracted HC-DNA. The value of IC50 is to understand the effect of cytotoxic activity which is lower than cisplatin and higher than the ligand Hbpmc. The apoptotic tests show that the complexes apparently have an apoptotic effect on Hela cells.

  有机配体Hbpmc和聚合物复合物[Mn(bpmc)2(4,4′-bipy)(H2O)2]n·3H2O（4,4′-bipy = 4,4′-联吡啶，Hbpmc = 2,2-双(3-苯基丙基)丙二酸）同时具有亲油基团（芳香环）和亲水基团（非配位羧基），通过红外光谱、元素分析和X射线单晶衍射对其进行了合成和表征。通过荧光光谱研究了复合物与HC-DNA的相互作用。凝胶电泳分析表明其能够裂解提取的HC-DNA。IC50值用于了解细胞毒性活性，其低于顺