Fe2(μ-SCH2OCH2S-μ)(CO)5[CpFe(CO)2(SPh)] | 724707-40-8

• 英文名称: Fe2(μ-SCH2OCH2S-μ)(CO)5[CpFe(CO)2(SPh)]
• 英文别名: [Fe2(μ-SCH2OCH2S-μ)(CO)5][Cp(CO)2FeSPh]
• CAS: 724707-40-8
• 化学式: C₂₀H₁₄Fe₃O₈S₃
• 分子量: 646.065
• InChiKey: CIXKKBRVWARSGO-UHFFFAOYSA-K

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：

  [FeCp(CO)₂SPh] 、 [{(μ-SCH₂)₂O}Fe₂(CO)₆] 在 (CH₃)3NO*2H₂O 作用下， 以 乙腈 为溶剂， 以72%的产率得到Fe2(μ-SCH2OCH2S-μ)(CO)5[CpFe(CO)2(SPh)]
  参考文献：
  名称：

  Novel Single and Double Diiron Oxadithiolates as Models for the Active Site of [Fe]-Only Hydrogenases

  摘要：

  The series of diiron oxadithiolate model complexes for the active site of [Fe]-only hydrogenases Fe-2(mu-SCH2OCH2S-mu)(CO)(6) (1), [Fe-2(mu-SCH2OCH2S-mu)(CN)(2)(CO)(4)] (Et4N)(2) (2), [Fe-2(mu-SCH2OCH2S-mu)(CN)(CO)(5)](Et4N) (3), Fe-2(mu-SCH2OCH2S-mu)(CO)(5)[CpFe(CO)(2)(SPh)] (4), and [Fe-2(mu-SCH2OCH2S-mu) (CO)(5)](2) [(eta(5)-Ph2PC5H4)(2) Fe] (5) have been synthesized and fully characterized by elemental analysis, spectroscopy, and X-ray diffraction analysis. The structural features for some of the model complexes are compared with the corresponding features for the active site of [Fe]-only hydrogenases.

  DOI：

  10.1021/om049752i

文献信息

• Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe₂(<i>μ</i>-SCH₂OCH₂S-<i>μ</i>)(CO)₆
  作者：Li-Cheng Song、Zhi-Yong Yang、Hong-Zhu Bian、Yang Liu、Hu-Ting Wang、Xu-Feng Liu、Qing-Mei Hu

  DOI：10.1021/om0507373

  日期：2005.12.1

  The biomimetic chemistry of single and double oxadithiolatodiiron-containing model compounds for the active site of Fe-only hydrogenases (FeHases) has been systematically studied. The simplest such model, Fe2(μ-SCH2OCH2S-μ)(CO)6 (1), was prepared by reaction of (μ-S2)Fe2(CO)6 with 2 equiv of Et3BHLi followed by direct treatment with excess (ClCH2)2O or by successive treatment with 2 equiv of CF3CO2H

  已经系统地研究了单一和双重含氧二硫代latodiiron的模型化合物的仿生化学，用于仅铁的氢酶（FeHases）的活性位点。最简单的模型Fe 2（μ- SCH 2 OCH 2 S- μ）（CO）6（1）是通过（μ- S 2）Fe 2（CO）6与2当量的Et 3 BHLi反应制得的然后直接用过量（ClCH 2）2 O处理或连续用2当量CF 3 CO 2 H和过量（ClCH2）2 O在Et 3 N的存在下进行。1与1当量的Me 3 NO在室温下在MeCN中进一步反应，然后处理中间体Fe 2（μ- SCH 2 OCH 2 S- μ）（CO）5 L（L = MeCN或Me 3 N）和1当量的Et 4 NCN，PPh 3或Cp（CO）2 FeSPh给出了单个模型Fe 2（μ- SCH 2 OCH 2 S- μ）（CO）5大号一（2，L a＝（CN）（Et 4 N）；3，PPh 3 ; 如图4所示，Cp（CO）2