(2-(N,N,N',N'-tetrakis(3,5-di-tert-butyl-2-hydroxybenzyl))aminothiophenolato) disulfide) | 1227071-21-7

• 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-(N,N,N',N'-tetrakis(3,5-di-tert-butyl-2-hydroxybenzyl))aminothiophenolato) disulfide)
• 英文别名: 2-[[2-[[2-[bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]amino]phenyl]disulfanyl]-N-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]anilino]methyl]-4,6-ditert-butylphenol
• CAS: 1227071-21-7
• 化学式: C₇₂H₁₀₀N₂O₄S₂
• 分子量: 1121.73
• InChiKey: LQCABQKJEGCYLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.2
• 重原子数：
  80
• 可旋转键数：
  21
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  138
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-甲基咪唑 、 (2-(N,N,N',N'-tetrakis(3,5-di-tert-butyl-2-hydroxybenzyl))aminothiophenolato) disulfide) 、 三氯化铁 在 NaBH₄ 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以45%的产率得到Fe(1-methylimidazole)(2-(N,N,N',N'-tetrakis(3,5-di-tert-butyl-2-hydroxybenzyl))aminothiophenolato) disulfide)
  参考文献：
  名称：

  An unprecedented iron(III) complex supported by an asymmetric N-capped tripodal ligand incorporating the NO2S donor set

  摘要：

  The synthesis of an iron(III) complex [Fe(L)(1-Meim)] (1-Meim = 1-methylimidazole) coordinated by an asymmetric N-capped tripodal tetradentate ligand (L) equipped with three aromatic arms is described. X-ray crystallographic analysis shows that the complex adopts a distorted bipyramidal geometry with a new type of N2O2S coordination environment around the iron centre. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.09.010
• 作为产物：
  描述：

  3,5-di-tert-butyl-2-hydroxybenzyl bromide 、 双(2-氨基苯基)二硫 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以52%的产率得到(2-(N,N,N',N'-tetrakis(3,5-di-tert-butyl-2-hydroxybenzyl))aminothiophenolato) disulfide)
  参考文献：
  名称：

  An unprecedented iron(III) complex supported by an asymmetric N-capped tripodal ligand incorporating the NO2S donor set

  摘要：

  The synthesis of an iron(III) complex [Fe(L)(1-Meim)] (1-Meim = 1-methylimidazole) coordinated by an asymmetric N-capped tripodal tetradentate ligand (L) equipped with three aromatic arms is described. X-ray crystallographic analysis shows that the complex adopts a distorted bipyramidal geometry with a new type of N2O2S coordination environment around the iron centre. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.09.010

文献信息

• An unprecedented iron(III) complex supported by an asymmetric N-capped tripodal ligand incorporating the NO2S donor set
  作者：Lok H. Tong、Yee-Lok Wong、Sofia I. Pascu、Jonathan R. Dilworth

  DOI：10.1016/j.ica.2009.09.010

  日期：2010.4

  The synthesis of an iron(III) complex [Fe(L)(1-Meim)] (1-Meim = 1-methylimidazole) coordinated by an asymmetric N-capped tripodal tetradentate ligand (L) equipped with three aromatic arms is described. X-ray crystallographic analysis shows that the complex adopts a distorted bipyramidal geometry with a new type of N2O2S coordination environment around the iron centre. (C) 2009 Elsevier B.V. All rights reserved.