[(μ-SeCH2)2NC(O)Ph]Fe2(CO)6 | 1313861-38-9

• 英文名称: [(μ-SeCH2)2NC(O)Ph]Fe2(CO)6
• CAS: 1313861-38-9
• 化学式: C₁₅H₉Fe₂NO₇Se₂
• 分子量: 584.853
• InChiKey: MXPMURKCYAIQMJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  (μ-Se2)(carbonyl)6diiron 、 PhC(O)N(CH2Cl)2 、 三乙基硼氢化锂 以 四氢呋喃 为溶剂， 以36%的产率得到[(μ-SeCH2)2NC(O)Ph]Fe2(CO)6
  参考文献：
  名称：

  Synthesis and Characterization of Single, Double, and Triple Butterfly [2Fe2E] (E = Se, S) Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases

  摘要：

  As the active site mimics of [FeFe]-hydrogenases, 14 new butterfly [2Fe2E] (E = Se, S) cluster complexes have been prepared by various synthetic routes. The N-substituted single-butterfly [2Fe2Se] complexes [(mu-SeCH2)(2)NC(O)R]Fe-2-(CO)(6) (1, R = Me; 2, R = Ph; 3, R = PhCH2O) were prepared by reactions of the in situ formed (mu-LiSe)(2)Fe-2(CO)(6) with RC(O)N(CH2Cl)(2), whereas the corresponding [2Fe2S] complexes {(mu-SCH2)(2)NC6H4R-P]Fe-2(CO)(6) (4, R = CO2Et; 5, R = CH2OH) were produced by reaction of the in situ generated (mu-HS)(2)Fe-2(CO)(6) with aqueous CH2O followed by treatment with p-RC6H4NH2. The parent single-butterfly [2Fe2Se] complex [(mu-SeCH2)(2)NH]Fe-2(CO)(6) (6) could be prepared by reaction of the N-substituted complex 3 with deprotecting reagent BBr3, BF3 center dot OEt2/EtSH, or BF3 center dot OEt2/Me2S, whereas the N-substituted single-butterfly [2Fe2Se] complexes [(mu-SeCH2)(2)NC(O)R]Fe-2(CO)(6) (7, R = Et; 8, R = PhCH2) were produced by reactions of 6 with acylating agents RC(O)Cl in the presence of Et3N. While the known parent single-butterfly [2Fe2S] complex [(mu-SCH2)(2)NH]Fe-2(CO)(6) reacted with 2,6-[ClC(O)](2)C5H3N to afford double-butterfly [2Fe2S] complex [Fe-2(CO)(6)(mu-SCH2)(2)NC(O)](2)(2,6-C5H3N) (9), the new N-hydroxyethyl-substituted single-butterfly [2Fe2Se] complex [(mu-SeCH2)(2)N-(CH2)(2)OH]Fe-2(CO)(6) (10) could be obtained by the in situ reaction of (mu-HSe)(2)Fe-2(CO)(6) with (HOCH2)(2)N(CH2)(2)OH. Interestingly, complex 10 could react with [ClC(O)](2)CH2 or 1,3,5-[ClC(O)](3)C6H3 in the presence of Et3N to give the corresponding double-butterfly [2Fe2Se] complex [Fe-2(CO)(6)(mu-SeCH2)(2)N(CH2)(2)O2C](2)CH2 (11) and triple- butterfly complex [Fe-2(CO)(6)(mu-SeCH2)(2)N(CH2)(2)O2C](3)(1,3,5-C6H3) (12), whereas the known single-butterfly [2Fe2S] complex [(mu-SCH2)(2)N-(CH2)(2)OH]Fe-2(CO)(6) could react with 2,6-[ClC(O)](2)C5H3N and 1,3,5-[ClC(O)](3)C6H3 in the presence of Et3N to afford the corresponding double-butterfly [2Fe2S] complex [Fe-2(CO)(6)(mu-SCH2)(2)N(CH2)(2)O2C](2)(2,6-C5H3N) (13) and triple-butterfly complex [Fe-2(CO)(6)(mu-SCH2)(2)N(CH2)(2)O2C](3)(1,3,5-C6H3) (14), respectively.All the new complexes 1-14 have been characterized by elemental analysis and spectroscopy, as well as by X-ray crystallography for 1-4, 7-9 and 14. In addition, the electrochemical study indicated that complexes 1 and 2 can catalyze the Proton reduction of HOAc to give hydrogen.

  DOI：

  10.1021/om200395g