[Fe(N-(1-ethanol)-N,N-bis(3-tert-butyl-5-methyl-2-hydroxybenzyl)amine(-3H))2] | 1239982-08-1

• 英文名称: [Fe(N-(1-ethanol)-N,N-bis(3-tert-butyl-5-methyl-2-hydroxybenzyl)amine(-3H))2]
• CAS: 1239982-08-1
• 化学式: C₅₂H₇₂Fe₂N₂O₆
• 分子量: 932.847
• InChiKey: UHNJVQJWEMHEAW-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  iron(III) chloride hexahydrate 、 N-(1-ethanol)-N,N-bis(3-tert-butyl-5-methyl-2-hydroxybenzyl)amine 以 三乙胺 为溶剂， 以27%的产率得到[Fe(N-(1-ethanol)-N,N-bis(3-tert-butyl-5-methyl-2-hydroxybenzyl)amine(-3H))2]
  参考文献：
  名称：

  Design, synthesis, structure and magnetic behavior of a high spin binuclear Fe(III) complex of N-(1-ethanol)-N,N-bis(3-tert-butyl-5-methyl-2-hydroxybenxyl) amine

  摘要：

  The Mannich reaction of 2-aminoethanol, 2-tert-buty1-4-methylphenol, and formaldehyde at the ratio sets of 1:2:2 provided a new ligand, N-(1-ethanol)-N,N-bis(3-tert-butyl-5-methyl-2-hydroxybenxyl)amine (H3L). In the presence of base, H3L reacted with FeCl3 center dot 6H(2)O to form a dinuclear Fe(III) complex [FC2L2] 1. The value of mu at room temperature (5.95 mu(B)), is much less than the expected spin-only value (8.37 mu(B)) of two high spin (hs) Fe3+ (S = 5/2) ions [mu= g[Sigma ZS(S + 1)](1/2)], indicating there were strong interactions between Fe3+ ions. The effective magnetic moment (mu(eff)) decreased abruptly with cooling to a minimum value of 0.1 mu(B) at 2 K. It was worth noting that Fe3+ ions of 1 exhibited thermally induced quartet <-> doublet spin transitions, and these transitions were abrupt. The magnetic behaviors of 1 denoted the occurrence of intramolecular anti-ferromagnetic interactions. J (-13.58 cm(-1)) agrees with the result from Gorun-Lippard equation, -J (cm(-1))= Aexp(BP(angstrom)= 12.9). (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.06.014