N-(α-methylsalicylidene)dipropylenetriamine | 879282-60-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: N-(α-methylsalicylidene)dipropylenetriamine
• 英文别名: 2-[N-[3-(3-aminopropylamino)propyl]-C-methylcarbonimidoyl]phenol
• CAS: 879282-60-7
• 化学式: C₁₄H₂₃N₃O
• 分子量: 249.356
• InChiKey: LCGGRRACFUWCRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  nickel(II) chloride hexahydrate 、 N-(α-methylsalicylidene)dipropylenetriamine 在 Et₃N 作用下， 以 甲醇 、 乙醇 为溶剂， 以40%的产率得到[Ni(N-(α-methylsalicylidene)dipropylenetriamine-H)]Cl
  参考文献：
  名称：

  Synthesis, characterization and X-ray crystal structures of [Ni(Me-sal)2dpt] and [Ni(Me-sal)dpt]Cl

  摘要：

  Two Ni(II) complexes, [Ni(Me-sal)(2)dpt] (1) and [Ni(Me-sal)dpt]Cl (2), with penta- and tetradentate ligands ((H2L1)=H-2(Mesal)(2)dpt=N,N-bis(alpha-methylsalicylidene)dipropylenetriamine and (HL2)=H(Me-sal)dpt=N-(alpha-methylesalicylidene)dipropylenetriamine) containing N3O2 and N3O donor sets, respectively, have been synthesized and characterized by elemental analyses, FTIR and UV-Vis spectroscopy. The green five coordinate complex [Ni(Me-sal)2dpt] (1) forms on reaction of H,(Me-sal)2dpt with Ni-II(OAc)(2)center dot 4H(2)O in boiling methanol, whereas at reflux temperature in ethanol the red diamagnetic [Ni(Me-sal)dpt]Cl (2) is formed on reaction of H-2(Me-sal)(2)dpt with NiCl2 center dot 6H(2)O, In the ligand (Me-sal)dpt one of the imine groups is hydrolysed resulting in a new tetradentate N3O ligand. Complex (2) is also prepared in a higher yield by the direct reaction of H(Me-sal)dpt with NiCl2 center dot 6H(2)O. The crystal and molecular structures of (1) and (2) were determined by X-ray crystallography. Complex (1) crystallizes in the monoclinic space group P2(1)/c and complex (2) crystallizes in the triclinic space group P (1) over bar. The coordination polyhedron about the Ni(II) center in complex (1) is best described as distorted trigonal bipyramidal and that of complex (2) as distorted square planar. The FTIR and UV-Vis spectra of the complexes are also discussed. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.07.040