2,6-bis[N-(2-(2-thienyl)ethyl)iminomethyl]-4-tert-butylphenol | 1628570-68-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,6-bis[N-(2-(2-thienyl)ethyl)iminomethyl]-4-tert-butylphenol
• 英文别名: 2,6-bis[ethyl(2-thienyl)iminomethyl]-4-tert-butylphenol
• CAS: 1628570-68-2
• 化学式: C₂₄H₂₈N₂OS₂
• 分子量: 424.631
• InChiKey: OUUFQNVWZFONFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.14
• 重原子数：
  29.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  44.95
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 2,6-bis[N-(2-(2-thienyl)ethyl)iminomethyl]-4-tert-butylphenol 、 水 、 nickel(II) acetate tetrahydrate 以 乙腈 为溶剂， 反应 1.0h， 以89%的产率得到[Ni₅(2,6-bis[ethyl(2-thienyl)iminomethyl]-4-tert-butylphenol)₂(CH₃COO)₆(MeOH)₂]*2MeOH
  参考文献：
  名称：

  Syntheses, Characterization, and Magneto–Structural Analyses in μ _1,3 ‐Acetato‐Bridged Tetracopper(II) and μ _1,3 ‐ and μ _1,1,3 ‐Acetato‐Bridged Pentanickel(II) Clusters

  摘要：

  AbstractTwo pentanuclear NiII complexes, [Ni5(L1)2(CH3COO)6(OH)2(MeOH)2] (1) and [Ni5(L2)2(CH3COO)6(OH)2(H2O)2] (2), and one tetranuclear CuII complex, [Cu4(L3)2(CH3COO)4(O)] (3), have been synthesized from phenol‐based “end‐off” compartmental ligands HL1 to HL3 {HL1 = 2,6‐bis[ethyl(2‐thienyl)iminomethyl]‐4‐tert‐butylphenol; HL2 = 2,6‐bis[ethyl(2‐thienyl)iminomethyl]‐4‐chlorophenol and HL3 = 2,6‐bis[ethyl(2‐thienyl)iminomethyl]‐4‐methylphenol, respectively}. The complexes have been structurally characterized and their magnetic properties have been investigated within the temperature range 2.2–300 K. Complexes 1 and 2 comprise two dinuclear [Ni2L2] units linked to a central Ni ion by bridging μ3‐hydroxo groups. The cluster is stabilized by syn‐syn‐μ1,3‐bridging and μ1,1,3‐bridging acetate anions. The structural analysis of 3 revealed two crystallographically independent complexes that consisted of a tetrahedron of CuII ions connected to a central μ4‐oxo species and further bridged by four acetate groups along four of the six edges of the Cu4 core. The other two edges are occupied by μ‐phenoxo bridges from the deprotonated L3 ligand. Magnetic investigations revealed both ferromagnetic and antiferromagnetic interactions in 1 and 2 with single‐ion zero‐field splitting of magnitude comparable to exchange interactions, and strong antiferromagnetic interactions in 3.

  DOI：

  10.1002/ejic.201301581
• 作为产物：
  描述：

  噻吩乙胺 、 4-叔丁基-2,6-二甲酰基苯酚 以 乙腈 为溶剂， 反应 2.0h， 生成 2,6-bis[N-(2-(2-thienyl)ethyl)iminomethyl]-4-tert-butylphenol
  参考文献：
  名称：

  Syntheses, Characterization, and Magneto–Structural Analyses in μ _1,3 ‐Acetato‐Bridged Tetracopper(II) and μ _1,3 ‐ and μ _1,1,3 ‐Acetato‐Bridged Pentanickel(II) Clusters

  摘要：

  AbstractTwo pentanuclear NiII complexes, [Ni5(L1)2(CH3COO)6(OH)2(MeOH)2] (1) and [Ni5(L2)2(CH3COO)6(OH)2(H2O)2] (2), and one tetranuclear CuII complex, [Cu4(L3)2(CH3COO)4(O)] (3), have been synthesized from phenol‐based “end‐off” compartmental ligands HL1 to HL3 {HL1 = 2,6‐bis[ethyl(2‐thienyl)iminomethyl]‐4‐tert‐butylphenol; HL2 = 2,6‐bis[ethyl(2‐thienyl)iminomethyl]‐4‐chlorophenol and HL3 = 2,6‐bis[ethyl(2‐thienyl)iminomethyl]‐4‐methylphenol, respectively}. The complexes have been structurally characterized and their magnetic properties have been investigated within the temperature range 2.2–300 K. Complexes 1 and 2 comprise two dinuclear [Ni2L2] units linked to a central Ni ion by bridging μ3‐hydroxo groups. The cluster is stabilized by syn‐syn‐μ1,3‐bridging and μ1,1,3‐bridging acetate anions. The structural analysis of 3 revealed two crystallographically independent complexes that consisted of a tetrahedron of CuII ions connected to a central μ4‐oxo species and further bridged by four acetate groups along four of the six edges of the Cu4 core. The other two edges are occupied by μ‐phenoxo bridges from the deprotonated L3 ligand. Magnetic investigations revealed both ferromagnetic and antiferromagnetic interactions in 1 and 2 with single‐ion zero‐field splitting of magnitude comparable to exchange interactions, and strong antiferromagnetic interactions in 3.

  DOI：

  10.1002/ejic.201301581