2,6-bis[(N-methylpiperazin-1-yl)methyl]-4-cyanophenol | 219482-35-6

• 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: 2,6-bis[(N-methylpiperazin-1-yl)methyl]-4-cyanophenol
• 英文别名: 4-Hydroxy-3,5-bis[(4-methylpiperazin-1-yl)methyl]benzonitrile
• CAS: 219482-35-6
• 化学式: C₁₉H₂₉N₅O
• 分子量: 343.472
• InChiKey: RHHPYEUBPOEEQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  57
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  sodium perchlorate 、 copper(II) acetate monohydrate 、 2,6-bis[(N-methylpiperazin-1-yl)methyl]-4-cyanophenol 以 乙醇 、 水 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Synthesis of a new binucleating ligand and its binuclear Cu(II) complex: X-ray crystal structure, spectral and electrochemical properties

  摘要：

  The preparation of a pentadentate binucleating ligand 2,6-bis[(N-methyl piperazin-1-yl)methyl]-4-cyano phenol (HL) is described together with the corresponding acetato bridged Cu(II) complex [Cu2L-(CH3COO)(2)]CO4. Both the ligand and the complex were characterized by elemental analysis and spectral studies. The electro-chemical behavior of the complex is discussed in detail. A Crystal structure analysis shows that the ligand is pentadentate donating two nitrogens as well as a bridging oxygen to each copper. Two acetates bridge the coppers through axial and apical positions to yield square-pyramidal coppers with a distorted square base. Perchlorates occupy interstitial positions. The structure is held in three-dimensional space by electrostatic attractions and Vander Waals forces. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00124-7
• 作为产物：
  描述：

  N-甲基哌嗪 、 聚合甲醛 、 4-羟基苯甲腈 以 乙醇 为溶剂， 生成 2,6-bis[(N-methylpiperazin-1-yl)methyl]-4-cyanophenol
  参考文献：
  名称：

  4-Hydroxy-2,6-bis[(4-methylpiperazinyl)methyl]benzonitrile Monohydrate

  摘要：

  The two piperazine rings of the title compound, C19H29N5O.H2O, assume a chair conformation and the exocyclic methyl groups in the piperazine rings are in equatorial positions. The best planes through the C atoms of the two piperazine rings make a dihedral angle of 40.1(1)degrees. The mean puckering amplitude for the piperazine moiety is 0.598(3)Angstrom. The structure is stabilized by O-H ... N intermolecular hydrogen bonding.

  DOI：

  10.1107/s010827019700214x

文献信息

• Synthesis of a new binucleating ligand and its binuclear Cu(II) complex: X-ray crystal structure, spectral and electrochemical properties
  作者：T.M. Rajendiran、R. Venkatesan、P.Sambasiva Rao、M. Kandaswamy

  DOI：10.1016/s0277-5387(98)00124-7

  日期：1998.9

  The preparation of a pentadentate binucleating ligand 2,6-bis[(N-methyl piperazin-1-yl)methyl]-4-cyano phenol (HL) is described together with the corresponding acetato bridged Cu(II) complex [Cu2L-(CH3COO)(2)]CO4. Both the ligand and the complex were characterized by elemental analysis and spectral studies. The electro-chemical behavior of the complex is discussed in detail. A Crystal structure analysis shows that the ligand is pentadentate donating two nitrogens as well as a bridging oxygen to each copper. Two acetates bridge the coppers through axial and apical positions to yield square-pyramidal coppers with a distorted square base. Perchlorates occupy interstitial positions. The structure is held in three-dimensional space by electrostatic attractions and Vander Waals forces. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.
• 4-Hydroxy-2,6-bis[(4-methylpiperazinyl)methyl]benzonitrile Monohydrate
  作者：K. Gunasekaran、S. Shanmuga Sundara Raj、D. Velmurugan、T. M. Rajendran、M. Kandaswamy

  DOI：10.1107/s010827019700214x

  日期：1997.8.15

  The two piperazine rings of the title compound, C19H29N5O.H2O, assume a chair conformation and the exocyclic methyl groups in the piperazine rings are in equatorial positions. The best planes through the C atoms of the two piperazine rings make a dihedral angle of 40.1(1)degrees. The mean puckering amplitude for the piperazine moiety is 0.598(3)Angstrom. The structure is stabilized by O-H ... N intermolecular hydrogen bonding.