Fe(α-benzyldioxime(-2H))2(GmC2S2(CN)2)(BF)2 | 1009034-07-4

• 英文名称: Fe(α-benzyldioxime(-2H))2(GmC2S2(CN)2)(BF)2
• 英文别名: FeBd2(GmC2S2(CN)2)(BF)2
• CAS: 1009034-07-4
• 化学式: C₃₄H₂₀B₂F₂FeN₈O₆S₂
• 分子量: 816.181
• InChiKey: JZYZYEHQNNIIBE-UPVIANIWSA-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

• 作为产物：
  描述：

  FeBd2(Cl2Gm)(BF)2 、 dipotassium dimercaptomaleonitrile 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 以15%的产率得到Fe(α-benzyldioxime(-2H))2(GmC2S2(CN)2)(BF)2
  参考文献：
  名称：

  Interaction of Dichloride Iron(II) Clathrochelate with Dimercaptomaleodinitrile: Synthesis of the Precursor Monoribbed-Functionalized Phthalocyaninoclathrochelates and the Unexpected Formation of a New Thiophene-Containing Heterocyclic System in the Ribbed Chelate Fragment of the Clathrochelate Framework

  摘要：

  Clathrochelate iron(II) FeBd(2)(S2C2(CN)(2)Gm)(BF)(2) tris-dioximate with a ribbed vic-dinitrile fragment was synthesized as a precursor of the monoribbed-functionalized hybrid phthalocyaninoclathrochelates by nucleophilic substitution of the vic-dichloride FeBd(2)(Cl(2)Gm)(BF)(2) clathrochelate (1) with the potassium salt of dimercaptomaleodinitrile. Reaction of nitromethane with this salt was followed by the condensation of the reaction products with 1 to yield the clathrochelate with an annulated previously unknown thiazinothiophene heterocyclic system in the ribbed fragment. Both complexes were characterized on the basis of elemental analysis; MALDI-TOF mass spectrometry; IR, UV-vis, Fe-57 Mossbauer, and NMR spectroscopies; and X-ray crystallography.

  DOI：

  10.1021/ic701452g