[Fe2(μ-PhCH2SC=S)(CO)6]3[1,3,5-(μ-SCH2)3C6H3]) | 848349-52-0

• 英文名称: [Fe2(μ-PhCH2SC=S)(CO)6]3[1,3,5-(μ-SCH2)3C6H3])
• 英文别名: [(μ-PhCH2SCS)Fe2(CO)6]3[1,3,5-(μ-SCH2)3C6H3]
• CAS: 848349-52-0
• 化学式: C₅₁H₃₀Fe₆O₁₈S₉
• 分子量: 1554.46
• InChiKey: UQHNZCLUJCXHKA-UHFFFAOYSA-K

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：
  None
• 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：

  二硫化碳 、 十二羰基三铁 、 苯-1,3,5-三甲基硫醇 、 溴甲苯 、 三乙胺 以 四氢呋喃 为溶剂， 以35%的产率得到[Fe2(μ-PhCH2SC=S)(CO)6]3[1,3,5-(μ-SCH2)3C6H3])
  参考文献：
  名称：

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

  摘要：

  Five starlike complexes with terminal butterfly Fe/S cluster cores, [Fe-2(mu-Ph2P)(CO)(6)](3)[(mu-SCH2CH2)(3)N] (2), [Fe-2(mu-PhS)(CO)(6)](3)[(mu-SCH2CH2)(3)N] (3), [Fe-2(mu-PhC=NPh)(CO)(6))](3)[1,3,5-(mu-SCH2)(3)C6H3] (5), and [Fe-2(mu-RSC=S)(CO)(6)](3)[1,3,5-(mu-SCH2)(3) C6H3] (7, R = Me; 8, R = PhCH2), were prepared by a "one pot" reaction of the trithiol N(CH2CH2SH)(3) or 1,3,5-(HSCH2)(3)C6H3 with Fe-3(CO)(12) and Et3N, followed by treatment of the intermediate three-mu-CO-containing trianions {[Fe-2(mu-CO)(CO)(6)](3)[(mu-SCH2CH2)(3)N]}(3-) (1) and {[Fe-2(mu-CO)(CO)(6)](3)[1,3,5-(mu-SCH2)(3)C6H3]}(3-) (4) with Ph2PCl, PhSBr, PhC(Cl)=NPh, CS2/MeI, and CS2/PhCH2Br, respectively. These products have been fully characterized by elemental analysis, spectroscopy, and X-ray crystallography.

  DOI：

  10.1021/om0490280

文献信息

• Synthesis and Characterization of Starlike Complexes Containing Three Terminal Butterfly Fe/S Cluster Cores Generated via Reactions of the Three-<i>μ</i>-CO-Containing Trianions {[(<i>μ</i>-CO)Fe₂(CO)₆]₃[(<i>μ</i>-SCH₂CH₂)₃N]}³^- and {[(<i>μ</i>-CO)Fe₂(CO)₆]₃[1,3,5-(<i>μ</i>-SCH₂)₃C₆H₃]}³^- with Electrophiles
  作者：Li-Cheng Song、Jia Cheng、Feng-Hua Gong、Qing-Mei Hu、Jing Yan

  DOI：10.1021/om050333a

  日期：2005.7.1

  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.