(1E,1'E)-N,N'-((2-(3,4-dichlorophenyl)imidazolidine-1,3-diyl)bis(ethane-2,1-diyl))bis(1-(3,4-dichlorophenyl)methanimine) | 1267583-78-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: (1E,1'E)-N,N'-((2-(3,4-dichlorophenyl)imidazolidine-1,3-diyl)bis(ethane-2,1-diyl))bis(1-(3,4-dichlorophenyl)methanimine)
• CAS: 1267583-78-7
• 化学式: C₂₇H₂₄Cl₆N₄
• 分子量: 617.232
• InChiKey: ZCMIVWOFTUTJIU-HZTAJJRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.46
• 重原子数：
  37.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  31.2
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  三乙烯四胺 、 3,4-二氯苯甲醛 以 甲醇 为溶剂， 反应 1.0h， 以80%的产率得到(1E,1'E)-N,N'-((2-(3,4-dichlorophenyl)imidazolidine-1,3-diyl)bis(ethane-2,1-diyl))bis(1-(3,4-dichlorophenyl)methanimine)
  参考文献：
  名称：

  Crystal structure, spectroscopic and redox behaviour of novel imidazolidine ligand

  摘要：

  In this study, the Schiff base ligand 2,2'-[2-(3,4-dichlorophenyl)imidazolidine-1,3-diyl]bis{N-R1E)-3, 4-dichlorophenyllethanamine} (L) was prepared and characterized by the analytical and spectroscopic methods. The H-1(C-13) NMR spectra of the ligand was recorded in DMSO-d6 solvent and obtained data confirm the proposed structure. Electrochemical properties of the ligand were investigated in the DMF solvent in the range 100-250 mV s(-1) scan rates. The ligand showed both reversible and irreversible processes at these scan rates. The single crystal of the ligand (L) was obtained from MeOH solution, and its crystal structure analysis was performed by X-ray diffraction. (c) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2010.10.037