Fe(α-benzyldioxime)2(CH3S)2(glyoxime)(BF)2 | 439120-07-7

• 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: Fe(α-benzyldioxime)2(CH3S)2(glyoxime)(BF)2
• 英文别名: Fe(α-benzyldioximato)2((MeS)2Gm)(BF)2；FeBd2((MeS)2Gm)(BF)2；1,8-Bis(fluoroboro)-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaaza-4,5,11,12-tetraphenyl-17,18-methylthiobicyclo-[6.6.6]eicosa-3,5,10,12,16,18-hexaene iron(II)；(3Z,5Z,10E,12E,16E,18E)-1,8-difluoro-4,5-bis(methylsulfanyl)-11,12,17,18-tetraphenyl-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaza-1,8-diboranuidabicyclo[6.6.6]icosa-3,5,10,12,16,18-hexaene;iron(2+)
• CAS: 439120-07-7
• 化学式: C₃₂H₂₆B₂F₂FeN₆O₆S₂
• 分子量: 770.193
• InChiKey: WNAKTESDBGUSPO-HULFEINJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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

• 作为反应物：
  描述：

  Fe(α-benzyldioxime)2(CH3S)2(glyoxime)(BF)2 在 CH₃SK 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Fe(α-benzyldioximato)2((MeS)(HS)Gm)(BF)2 、 Fe(α-benzyldioximato)2((HS)2Gm)(BF)2
  参考文献：
  名称：

  Clathrochelate monoribbed-functionalized iron(ii) α-dioximates: synthetic pathways and structural and electrochemical features

  摘要：

  从二氯化物前体 FeBd2的三-二氧杂环铁(II)的合成始于二氯前体 FeBd2(Cl2Gm)(BF)2（其中 Bd2â 和 Cl2Gm2â 分别为δ-苄基二氧杂环肟和二氯二氧杂环肟二离子）、），由大环双δ-苄基二氧杂环铁[FeBd2(BF2)2(MeCN)2]与 H2Cl2Gm 缩合而成。对于 FeBd2(Cl2Gm)(BF)2Â-2C6H6、FeBd2{(Et2N)ClGm}(BF)2Â-C6H6 和 FeBd2{(MeS)2Gm}(BF)2 复合物，则使用了元素分析、PD 质量、红外光谱、紫外-可见光谱、57Fe M¶ssbauer、1H、13C 和 11B NMR 光谱以及 X 射线晶体学对其进行了表征]。利用 57Fe M¶ssbauer参数，推导出了单硼官能化螯合物的低自旋铁(II)离子配位多面体介于三棱柱形和三棱柱形之间的构型。确定了甲硫醇复合物 FeBd2{(MeS)2Gm}(BF)2 的去烷基化和再烷基化反应产物。讨论了 Fe3+/Fe2+ 偶合的 E1/2 值（来自循环伏安图）与官能化片段中取代基的 Hammett Ïpara 常量的相关性。

  DOI：

  10.1039/b107021p
• 作为产物：
  描述：

  FeBd2(Cl2Gm)(BF)2 、 甲硫醇 在 (C₂H₅)3N 作用下， 以 二氯甲烷 为溶剂， 以93%的产率得到Fe(α-benzyldioxime)2(CH3S)2(glyoxime)(BF)2
  参考文献：
  名称：

  Synthesis and structure of monoribbed-functionalized disulfide iron(II) clathrochelates and their coordination as the ligands toward platinum(II) and platinum(IV) ions

  摘要：

  Disulfide monoribbed-functionalized clathrochelates (i.e., fuctionalization of one of the three alpha-dioximate fragments) with ribbed thioalkyl, S-3-thioalkyl and hydroxythioalkyl substituents have been synthesized starting from the FeBd(2)(Cl(2)Gm)(BF)(2) precursor (where Bd(2) and Cl(2)Gm(2) are alpha-benzyldioxime and dichloroglyoxime dianions) using the corresponding thiol/triethylamine system in dichloromethane solution. Clathrochelate S-6-dithiol in basic media underwent the intramolecular dealkylation to yield the S-3-thiocrown etheric clathrochelate. Clathrochelates obtained have been studied as the ligands toward Pt2+ and Pt4+ ions. The S-demethylation reaction of the methylsulfide complex with [PtCl4](2) dianion produced the polynuclear complexes of the dianionic clathrochelate dithiolate ligand. The reaction of nbutylsulfide clathrochelate with the trans-(PtCl4)-Cl-IV(C6H5CH2CN)(2) afforded the binuclear compound with the disulfide iron(II) clathrochelate as a monodentate ligand. The obtained macrobicycles, their clathrochelate derivatives, and polynuclear complexes have been characterized using elemental analysis, MALDI-TOF and PD mass, IR, UV-Vis, and NMR spectra, and X-ray crystallography. The encapsulated iron(II) ion coordination polyhedra distortion angle phi values and the main distances in the molecules of polynuclear complexes have been deduced (obtained) using Fe-57 Mossbauer parameters and EXAFS data, respectively. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.03.055