N,N'-di-(4-decyloxysalicylidene)-1',4'-diaminobutane | 1610848-36-6

• 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',4'-diaminobutane
• CAS: 1610848-36-6
• 化学式: C₃₈H₆₀N₂O₄
• 分子量: 608.905
• InChiKey: FYTLGHDJMQXSBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.45
• 重原子数：
  44.0
• 可旋转键数：
  27.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  83.64
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  praseodymium(III) nitrate hexahydrate 、 N,N'-di-(4-decyloxysalicylidene)-1',4'-diaminobutane 以 四氢呋喃 为溶剂， 反应 0.3h， 以72%的产率得到[(praseodymium(III))2(N,N'-di-(4-decyloxysalicylidene)-1',4'-diaminobutane)3(nitrate)4](nitrate)2
  参考文献：
  名称：

  Rare Earth Metal Complexes of a Mesogenic Schiff-Base, N,N′-di-(4-decyloxysalicylidene)-1′, 4′-diaminobutane: Synthesis and Characterization

  摘要：

  A mesogenic Schiff-base, N,N-di-(4-decyloxysalicylidene)-1,4-diaminobutane, (H2L) that exhibits smectic-B and nematic mesophases, was synthesized and its structure studied by elemental analysis, mass spectrometry, NMR & IR techniques. H2L, upon condensation with hydrated lanthanide(III) nitrates yields Ln(III) complexes of the composition [Ln(2)(LH2)(3)(NO3)(4)](NO3)(2), where Ln(III) = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, and Ho. The Pr-III complex shows smectic-A and nematic phases. The IR and NMR spectral data imply a bidentate bonding of H2L in zwitterionic form (as LH2) to the Ln(III) ions through two phenolate oxygen atoms, rendering the overall geometry of the complexes possibly to distorted mono-capped octahedra.

  DOI：

  10.1080/15533174.2013.790056
• 作为产物：
  描述：

  4-(decyloxy)salicylaldehyde 、 四亚甲基二胺 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 0.1h， 以60%的产率得到N,N'-di-(4-decyloxysalicylidene)-1',4'-diaminobutane
  参考文献：
  名称：

  Rare Earth Metal Complexes of a Mesogenic Schiff-Base, N,N′-di-(4-decyloxysalicylidene)-1′, 4′-diaminobutane: Synthesis and Characterization

  摘要：

  A mesogenic Schiff-base, N,N-di-(4-decyloxysalicylidene)-1,4-diaminobutane, (H2L) that exhibits smectic-B and nematic mesophases, was synthesized and its structure studied by elemental analysis, mass spectrometry, NMR & IR techniques. H2L, upon condensation with hydrated lanthanide(III) nitrates yields Ln(III) complexes of the composition [Ln(2)(LH2)(3)(NO3)(4)](NO3)(2), where Ln(III) = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, and Ho. The Pr-III complex shows smectic-A and nematic phases. The IR and NMR spectral data imply a bidentate bonding of H2L in zwitterionic form (as LH2) to the Ln(III) ions through two phenolate oxygen atoms, rendering the overall geometry of the complexes possibly to distorted mono-capped octahedra.

  DOI：

  10.1080/15533174.2013.790056