[(μ-PhS)Fe2(CO)6]3[1,3,5-(μ-SCH2)3C6H3] | 862430-12-4

• 英文名称: [(μ-PhS)Fe2(CO)6]3[1,3,5-(μ-SCH2)3C6H3]
• CAS: 862430-12-4
• 化学式: C₄₅H₂₄Fe₆O₁₈S₆
• 分子量: 1380.15
• InChiKey: COSRBEXEFJZXJZ-UHFFFAOYSA-H

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：

  十二羰基三铁 、 苯-1,3,5-三甲基硫醇 、 phenylsulfenyl bromide 、 三乙胺 以 四氢呋喃 为溶剂， 以48%的产率得到[(μ-PhS)Fe2(CO)6]3[1,3,5-(μ-SCH2)3C6H3]
  参考文献：
  名称：

  Synthesis and Characterization of Starlike Complexes Containing Three Terminal Butterfly Fe/S Cluster Cores Generated via Reactions of the Three-μ-CO-Containing Trianions {[(μ-CO)Fe₂(CO)₆]₃[(μ-SCH₂CH₂)₃N]}^3- and {[(μ-CO)Fe₂(CO)₆]₃[1,3,5-(μ-SCH₂)₃C₆H₃]}^3- with Electrophiles

  摘要：

  The novel three-mu-CO-containing trianions {[(mu-CO)Fe-2(CO)(6)](3)[(mu-SCH2 CH2)(3)N]}(3-) (4A) and {[(mu-CO)Fe-2(CO)(6)](3)[1,3,5-(mu-SCH2)(3)C6H3]}(3-) (4B) were prepared by reaction of trithiol N(CH2CH2SH)(3) or 1,3,5-(HSCH2)(3)C6H3 with Fe-3(CO)(12) and Et3N in 1:3:3 molar ratio in THF at room temperature. Further in situ treatment of 4A with electrophiles Ph2PCl, PhSBr, PhC(Cl)=NPh, and CH2=CHCH2Br afforded starlike complexes [(mu-Y)Fe-2(CO)(6)](3)-[(mu-SCH2CH2)(3)N] (5-8: Y = Ph2P, PhS, PhC=NPh, CH2=CHCH2), whereas its reaction with CS2 followed by treatment with organic halides RX produced complexes [(mu-Y)Fe-2(CO)(6)](3)[(mu-SCH2CH2)(3)N] (9-11: Y = MeSC=S, PhCH2SC=S, CH2=CHCH2SC=S). Similarly, 413 reacted in situ with Ph2PCl, PhSBr, PhC(Cl)=NPh, CH2=CHCH2Br, and PhNCS to give starlike complexes [(mu-Y)Fe-2(CO)(6)](3)[1,3,5-(mu-SCH2)(3)C6H3] (12-16: Y = Ph2P, PhS, PhC=NPh, CH2=CHCH2, PhNHC=S), whereas its reaction with CS2 followed by treatment with RX yielded complexes [(mu-Y)Fe-2(CO)(6)](3)[1,3,5-(mu-SCH2)(3)C6H3] (17-19: Y = MeSC=S, PhCH2SC=S, CH2=CHCH2SC=S). All the starlike complexes 5-19 contain three terminal butterfly Fe/S cluster cores, which have been fully characterized by elemental analysis and spectroscopy, and particularly by X-ray diffraction techniques for 5, 12, 15, and 17.

  DOI：

  10.1021/om050333a