N,N'-di-(4-decyloxysalicylidene)-1',6',-diaminohexane | 1318011-98-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N,N'-di-(4-decyloxysalicylidene)-1',6',-diaminohexane
• 英文别名: 5-Decoxy-2-[6-[(4-decoxy-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
• CAS: 1318011-98-1
• 化学式: C₄₀H₆₄N₂O₄
• 分子量: 636.959
• InChiKey: VOFGYIRIKUEVCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  46
• 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：
  83.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  lanthanum(III) nitrate hexahydrate 、 N,N'-di-(4-decyloxysalicylidene)-1',6',-diaminohexane 以 四氢呋喃 为溶剂， 以72%的产率得到[La2(N,N'-di-(4-decyloxysalicylidene)-1',6'-diaminohexane)(NO3)4][NO3]2
  参考文献：
  名称：

  Homo dinuclear lanthanide(III) complexes of a mesogenic Schiff-base, N,N′-di-(4-decyloxysalicylidene)-1′,6′-diaminohexane: Synthesis and characterization

  摘要：

  A mesogenic Schiff-base, N.N'-di-(4-decyloxysalicylidene)-1',6'-diaminohexane, H(2)ddsdh (abbreviated as H2L2) that exhibits smectic-B (SmB) mesophase, was synthesized and its structure studied by elemental analysis, mass spectrometry, NMR & IR spectral techniques. The Schiff-base, H2L2, upon condensation with hydrated lanthanide(III) nitrates, yields Ln(III) complexes of the general composition (Ln(2)((LH2)-H-2)(3)(NO3)(4)](NO3)(2), where Ln = La, Pr, Nd, Sm, Eu, Gd,Tb, Dy and Ho. IR and NMR spectral data imply a bi-dentate bonding of the Schiff-base in its zwitterionic form (as (LH2)-H-2) to the Ln(III) ions through two phenolate oxygens. The POM and DSC studies reveal that none of the Ln(III) complexes exhibits mesomorphism. Fluorescence studies show that the Tb-III complex displays characteristic metal-centered fluorescence (solution state). (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.05.030
• 作为产物：
  描述：

  1,6-己二胺 、 4-(decyloxy)salicylaldehyde 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 1.5h， 生成 N,N'-di-(4-decyloxysalicylidene)-1',6',-diaminohexane
  参考文献：
  名称：

  Homo dinuclear lanthanide(III) complexes of a mesogenic Schiff-base, N,N′-di-(4-decyloxysalicylidene)-1′,6′-diaminohexane: Synthesis and characterization

  摘要：

  A mesogenic Schiff-base, N.N'-di-(4-decyloxysalicylidene)-1',6'-diaminohexane, H(2)ddsdh (abbreviated as H2L2) that exhibits smectic-B (SmB) mesophase, was synthesized and its structure studied by elemental analysis, mass spectrometry, NMR & IR spectral techniques. The Schiff-base, H2L2, upon condensation with hydrated lanthanide(III) nitrates, yields Ln(III) complexes of the general composition (Ln(2)((LH2)-H-2)(3)(NO3)(4)](NO3)(2), where Ln = La, Pr, Nd, Sm, Eu, Gd,Tb, Dy and Ho. IR and NMR spectral data imply a bi-dentate bonding of the Schiff-base in its zwitterionic form (as (LH2)-H-2) to the Ln(III) ions through two phenolate oxygens. The POM and DSC studies reveal that none of the Ln(III) complexes exhibits mesomorphism. Fluorescence studies show that the Tb-III complex displays characteristic metal-centered fluorescence (solution state). (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.05.030