N,N'-bis[(2-(dodecylthio)phenyl)methylene]-1,2-ethanediamine | 261361-36-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N,N'-bis[(2-(dodecylthio)phenyl)methylene]-1,2-ethanediamine
• 英文别名: 1-(2-dodecylsulfanylphenyl)-N-[2-[(2-dodecylsulfanylphenyl)methylideneamino]ethyl]methanimine
• CAS: 261361-36-8
• 化学式: C₄₀H₆₄N₂S₂
• 分子量: 637.094
• InChiKey: FYXNMZWDZZWRPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15
• 重原子数：
  44
• 可旋转键数：
  29
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  75.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  nickel(II) chloride hexahydrate 、 N,N'-bis[(2-(dodecylthio)phenyl)methylene]-1,2-ethanediamine 以 乙醇 为溶剂， 以25%的产率得到[N,N'-bis[(2-(dodecylthio)phenyl)methylene]-1,2-ethanediamine]nickel(II) chloride
  参考文献：
  名称：

  Synthesis and Characterization of Nickel(II) Bis(alkylthio)salen Complexes

  摘要：

  NiX2(2-RSC6H4CH=NCH2CH2N=CHC6H4SR-2) (NiX2L; L = 5) (1a, X = Br, R = C6H13; 1b, X = Cl, R = C12H25) and NiX2(2-C6H13SC6H4CH2NHCH2CH2NHCH2C6H4SC6H13-2) (NiX2L; L = 6) (2a, X = Br; 2b, X = Cl; 2c, X = OClO3) were prepared from ligands 5 and 6, respectively. The 1:2 metal-ligand complex Ni(OClO3)(2)(2-RSC6H4CH2NHCH2CH2NHCH2C6H4SR-2)(2) 3, was obtained from an EtOH solution of 2c. The characterization of paramagnetic 1-3 included single-crystal X-ray diffraction studies of 1a and 3. Complex 2c converted into 3 in the presence of excess ligand 6 in CHCl3.

  DOI：

  10.1021/ic990950p

文献信息

• Functional nickel thiosalen complexes: structure and solid-state packing of a transition metal-based surfactant
  作者：D.Scott Bohle、Patricia A. Goodson、David A. Jaeger、Abdullah Zafar

  DOI：10.1016/s0020-1693(00)00342-x

  日期：2001.1

  The complex NiBr2(2-C12H25SC6H4CH=NCH2CH2N=CHC6H4SC12H25-2) (1) was prepared from the ligand 2-C12H25SC6H4CH=NCH2CH2N=CHC6H4SC12H25-2 (3) and NiBr2. Paramagnetic 1 was characterized by combustion analyses, H-1 and C-13 NMR spectroscopy, Vis-NIR spectroscopy, measurement of its magnetic susceptibility, and single-crystal X-ray diffraction. The crystal structure of 1 features octahedral coordination of Ni(II) with axial bromides and fully extended interdigitated alkyl chains. There are significant differences between the solid state structures of 1 and NiBr2(2-C6H12SC6H4CH=NCH2CH2N=CHC6H4SC6H12-2) (2), a previously reported homologue. (C) 2001 Elsevier Science B.V. All rights reserved.